data_2lk2_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 2lk2 _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 ' 12' ' ' LEU . . . . . 0.514 ' CD1' ' CD1' ' A' ' 55' ' ' TRP . 4.0 mt . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.19 154.03 36.39 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.47 2.113 . . . . 0.0 113.012 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -60.2 -39.1 85.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.552 -0.717 . . . . 0.0 109.739 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.72 -44.33 97.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.066 -1.021 . . . . 0.0 109.564 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -67.78 -37.9 82.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.259 -0.901 . . . . 0.0 109.566 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.28 -42.81 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.441 -0.787 . . . . 0.0 109.18 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.624 HE22 HH21 ' A' ' 21' ' ' ARG . 69.9 tp60 -60.88 -49.76 76.16 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.224 -0.922 . . . . 0.0 109.666 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.438 HG21 HD12 ' A' ' 19' ' ' ILE . 96.6 mt -65.52 -45.02 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.252 -0.905 . . . . 0.0 109.761 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.81 -42.53 94.93 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.781 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.624 HH21 HE22 ' A' ' 18' ' ' GLN . 62.1 ttp180 -66.58 -39.92 88.69 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.523 -0.736 . . . . 0.0 109.398 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -58.94 -44.25 91.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.387 -0.821 . . . . 0.0 109.379 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -62.42 -47.12 85.48 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.346 -0.847 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.87 -43.31 96.46 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.427 -0.796 . . . . 0.0 109.464 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -61.19 -42.84 99.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.514 -0.741 . . . . 0.0 109.549 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.62 -33.66 69.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.443 -0.785 . . . . 0.0 109.892 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -118.9 57.83 0.86 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.429 0.633 . . . . 0.0 109.793 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -68.32 -37.94 81.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.566 -0.709 . . . . 0.0 109.502 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.546 ' C ' ' H ' ' A' ' 31' ' ' ALA . 36.0 m-85 -63.23 -72.09 0.15 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.531 -0.731 . . . . 0.0 110.189 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -71.78 33.68 0.06 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.506 -0.746 . . . . 0.0 109.75 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.546 ' H ' ' C ' ' A' ' 29' ' ' TYR . . . -75.36 -7.59 54.4 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -52.85 153.44 5.93 Favored Pre-proline 0 C--N 1.305 -1.365 0 O-C-N 121.372 -0.83 . . . . 0.0 109.875 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.57 130.05 21.27 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.053 1.835 . . . . 0.0 112.85 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.507 ' HG ' ' CD ' ' A' ' 37' ' ' GLU . 4.8 p -156.62 141.49 17.06 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.511 -0.743 . . . . 0.0 109.402 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.98 -35.06 74.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.51 -0.744 . . . . 0.0 109.685 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.458 ' H ' ' CD ' ' A' ' 36' ' ' GLN . 28.1 mp0 -61.82 -43.33 99.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.357 -0.839 . . . . 0.0 109.697 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -68.1 -45.29 74.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.267 -0.895 . . . . 0.0 109.595 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -63.51 -42.79 98.47 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.395 -0.816 . . . . 0.0 109.674 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.99 -42.97 79.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.321 -0.862 . . . . 0.0 109.885 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.03 -46.34 84.87 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.258 -0.901 . . . . 0.0 109.965 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.2 mt -65.38 -39.56 92.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.455 -0.778 . . . . 0.0 109.447 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 t -59.72 -44.73 93.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.471 -0.768 . . . . 0.0 109.875 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.36 -40.07 85.76 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.178 -0.951 . . . . 0.0 109.435 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.33 -42.49 88.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.875 . . . . 0.0 109.925 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 p -91.4 167.66 12.11 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.188 -0.945 . . . . 0.0 109.91 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -97.16 16.04 20.93 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.44 159.42 14.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.427 -0.796 . . . . 0.0 110.081 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 p -75.55 167.16 22.42 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.721 0.772 . . . . 0.0 110.423 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.9 m -61.9 -42.65 99.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.601 -0.687 . . . . 0.0 109.702 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 4.0 mm? -62.17 -42.81 99.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 0.0 109.83 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -64.61 -46.78 81.17 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.232 -0.918 . . . . 0.0 109.621 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.16 -43.46 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.321 -0.862 . . . . 0.0 109.715 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.9 t -62.34 -50.16 72.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 0.0 109.843 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -64.12 -41.95 97.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 0.0 109.154 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.514 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 75.4 t90 -65.49 -39.67 92.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.544 -0.723 . . . . 0.0 109.094 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.63 -44.26 97.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.419 -0.801 . . . . 0.0 109.517 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.49 -44.65 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 0.0 109.643 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.574 ' ND2' ' CZ ' ' A' ' 62' ' ' ARG . 66.6 t30 -74.43 -51.68 14.22 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.359 -0.838 . . . . 0.0 110.09 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.09 82.12 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.373 -0.829 . . . . 0.0 109.67 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -61.68 -43.34 99.05 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.44 -0.788 . . . . 0.0 109.478 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -65.66 -17.13 64.38 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.853 . . . . 0.0 110.26 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.574 ' CZ ' ' ND2' ' A' ' 58' ' ' ASN . 90.6 mtm180 -108.72 -17.61 13.91 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.393 -0.817 . . . . 0.0 110.371 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.5 mt -95.98 -44.23 7.45 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.126 -0.984 . . . . 0.0 110.984 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.501 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.1 tp -56.91 -45.69 99.93 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.156 -0.965 . . . . 0.0 111.054 -178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 32.4 Cg_exo . . . . . 0 C--N 1.306 -1.702 0 C-N-CA 121.432 1.421 . . . . 0.0 111.766 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 121.105 0.479 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -50.37 146.03 19.86 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.502 2.135 . . . . 0.0 113.278 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.71 -43.2 94.22 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.435 0.636 . . . . 0.0 109.522 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.29 -45.91 91.15 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.124 -0.985 . . . . 0.0 109.612 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.442 ' HG ' ' N ' ' A' ' 17' ' ' VAL . 77.4 p -69.1 -39.8 78.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.259 -0.901 . . . . 0.0 109.806 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.442 ' N ' ' HG ' ' A' ' 16' ' ' SER . 49.9 t -65.16 -43.65 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.403 -0.811 . . . . 0.0 109.484 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -62.32 -43.34 99.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.44 -0.787 . . . . 0.0 109.713 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.89 -46.15 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.205 -0.934 . . . . 0.0 109.405 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.71 -41.88 87.26 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.382 -0.824 . . . . 0.0 109.39 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -64.59 -41.55 96.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.484 -0.76 . . . . 0.0 109.195 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.02 -40.42 95.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.412 -0.805 . . . . 0.0 109.145 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.484 ' NE1' ' OE2' ' A' ' 37' ' ' GLU . 45.4 t-105 -59.81 -47.82 84.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.909 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.83 -42.7 97.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.405 -0.809 . . . . 0.0 109.86 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -63.47 -39.1 93.55 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.297 -0.877 . . . . 0.0 109.433 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -65.48 -38.51 89.98 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.384 -0.822 . . . . 0.0 109.604 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -127.1 70.21 1.29 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.314 -0.866 . . . . 0.0 109.043 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -67.16 -39.21 86.47 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.573 -0.704 . . . . 0.0 109.596 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.44 ' C ' ' H ' ' A' ' 31' ' ' ALA . 71.5 m-85 -66.51 -34.0 76.95 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.363 -0.836 . . . . 0.0 109.75 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.536 ' C ' ' H ' ' A' ' 32' ' ' TYR . 62.3 t-20 -72.03 47.21 0.15 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 108.795 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 29' ' ' TYR . . . -72.08 36.98 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.588 0.709 . . . . 0.0 109.445 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.536 ' H ' ' C ' ' A' ' 30' ' ' ASN . 24.2 m-85 -136.91 76.3 46.63 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -58.67 146.47 91.8 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 123.183 2.589 . . . . 0.0 112.306 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.8 m -125.45 157.34 37.18 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.802 0.81 . . . . 0.0 110.024 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -52.26 -40.17 61.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.645 -0.659 . . . . 0.0 109.487 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -66.17 -40.57 90.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.392 -0.817 . . . . 0.0 109.087 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.484 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 79.7 tt0 -68.89 -40.65 79.08 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.387 -0.821 . . . . 0.0 109.688 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.595 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 99.2 mttt -63.52 -41.54 98.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.289 -0.882 . . . . 0.0 109.707 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.21 83.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.152 -0.968 . . . . 0.0 109.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -62.5 -48.38 79.8 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.905 . . . . 0.0 109.587 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.2 -40.18 82.23 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.471 -0.768 . . . . 0.0 110.253 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' THR . 11.4 t -62.16 -41.21 98.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.345 -0.847 . . . . 0.0 109.739 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -64.06 -41.01 97.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 0.0 109.437 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -65.58 -42.83 91.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -0.878 . . . . 0.0 109.933 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' SER . 80.5 p -98.18 177.98 5.22 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 0.0 109.898 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -99.56 36.61 1.74 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.66 -0.65 . . . . 0.0 109.539 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -115.23 149.07 38.32 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.83 0.824 . . . . 0.0 110.008 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -80.71 173.46 12.59 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.845 0.831 . . . . 0.0 110.523 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -62.49 -44.0 97.45 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 121.598 0.713 . . . . 0.0 109.878 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.94 -42.48 99.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.913 . . . . 0.0 109.713 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -64.26 -44.88 90.4 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.364 -0.835 . . . . 0.0 109.632 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.37 -43.75 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.433 -0.792 . . . . 0.0 109.827 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.595 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 8.3 t -60.89 -42.65 98.4 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.2 -0.938 . . . . 0.0 109.548 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -64.81 -40.38 95.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.414 -0.804 . . . . 0.0 109.396 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.63 -40.46 97.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.525 -0.735 . . . . 0.0 109.569 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -61.52 -46.62 89.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.188 -0.945 . . . . 0.0 110.135 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.57 -48.82 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.26 -0.9 . . . . 0.0 110.499 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -75.15 -44.04 49.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.237 -0.915 . . . . 0.0 110.604 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.68 -51.75 38.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.319 -0.863 . . . . 0.0 111.151 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -60.99 -44.92 96.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.259 -0.901 . . . . 0.0 109.941 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -65.92 -35.79 81.59 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.307 -0.87 . . . . 0.0 110.01 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -87.02 -13.22 45.04 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.175 -0.953 . . . . 0.0 110.222 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.8 mt -98.77 -32.58 11.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.125 -0.984 . . . . 0.0 110.293 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -58.3 -48.47 96.94 Favored Pre-proline 0 C--N 1.297 -1.698 0 O-C-N 121.13 -0.981 . . . . 0.0 110.515 -179.294 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 37.7 Cg_exo . . . . . 0 C--N 1.306 -1.703 0 C-N-CA 121.601 1.534 . . . . 0.0 111.897 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.86 150.6 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.467 2.111 . . . . 0.0 113.246 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.15 -41.58 97.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.586 -0.696 . . . . 0.0 109.675 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.74 -48.74 78.77 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.141 -0.975 . . . . 0.0 109.396 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.1 m -62.2 -42.94 99.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.312 -0.868 . . . . 0.0 109.414 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.4 t -64.17 -44.04 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.832 . . . . 0.0 109.661 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.17 -46.03 90.76 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.29 -0.881 . . . . 0.0 110.013 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.21 -46.79 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.051 -1.031 . . . . 0.0 109.641 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.38 -41.48 89.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.4 -0.813 . . . . 0.0 109.657 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -62.66 -40.56 97.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.835 . . . . 0.0 109.343 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.2 -46.76 87.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.235 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 59.9 t-105 -61.4 -47.07 87.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.9 . . . . 0.0 109.157 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' ARG . 56.7 tp -63.2 -41.65 99.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.36 -0.837 . . . . 0.0 109.209 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -59.69 -47.3 86.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.455 -0.778 . . . . 0.0 109.514 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.89 -37.92 85.3 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.167 -0.958 . . . . 0.0 109.508 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -102.01 23.71 11.12 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.424 -0.798 . . . . 0.0 109.304 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 24' ' ' LEU . 39.4 ptt180 -50.58 -25.04 3.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 108.966 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -76.39 -97.38 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.484 -0.76 . . . . 0.0 109.63 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.16 113.01 19.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.834 . . . . 0.0 110.187 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.62 83.55 0.97 Allowed 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 3.1 p90 -97.57 151.88 37.87 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.29 -0.881 . . . . 0.0 109.649 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.42 125.58 14.17 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.185 1.923 . . . . 0.0 111.848 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.0 p -158.99 162.12 36.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.263 -0.898 . . . . 0.0 109.681 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -65.35 -35.92 82.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.276 -0.89 . . . . 0.0 109.471 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.54 -45.97 88.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.922 . . . . 0.0 109.779 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -68.04 -43.67 78.18 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.05 -1.031 . . . . 0.0 109.473 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.517 ' CE ' ' HG ' ' A' ' 53' ' ' CYS . 63.4 mttp -63.25 -42.23 99.14 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.177 -0.952 . . . . 0.0 109.347 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.2 98.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.346 -0.846 . . . . 0.0 110.03 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.05 -44.84 94.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.077 -1.014 . . . . 0.0 109.193 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.05 -40.52 96.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.679 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -59.81 -42.8 94.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 109.241 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.24 -40.45 97.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.905 . . . . 0.0 109.485 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.95 -41.14 91.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.099 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.2 p -106.82 -164.44 0.99 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.432 -0.793 . . . . 0.0 109.908 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -129.16 37.9 3.98 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.6 mt -111.28 150.98 28.86 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.554 -0.716 . . . . 0.0 109.86 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.4 p -72.73 167.91 19.85 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.548 0.689 . . . . 0.0 110.22 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.431 ' O ' ' SG ' ' A' ' 53' ' ' CYS . 38.9 p -64.62 -32.38 74.01 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.485 -0.759 . . . . 0.0 109.797 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.83 -45.1 95.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.172 -0.955 . . . . 0.0 109.447 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -68.2 -41.54 81.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 0.0 109.863 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.4 t -64.13 -43.84 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.457 -0.777 . . . . 0.0 110.105 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.517 ' HG ' ' CE ' ' A' ' 38' ' ' LYS . 79.1 m -61.18 -52.08 66.34 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.135 -0.978 . . . . 0.0 110.042 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -64.78 -42.68 94.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.141 -0.974 . . . . 0.0 109.888 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -67.12 -41.42 86.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.0 110.145 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.07 -46.71 89.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.158 -0.964 . . . . 0.0 110.027 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.02 -45.11 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 109.894 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -72.32 -48.01 45.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.289 -0.882 . . . . 0.0 110.25 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.54 92.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.353 -0.842 . . . . 0.0 109.62 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -64.96 -42.13 94.87 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -0.871 . . . . 0.0 109.377 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -66.5 -19.06 65.69 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.182 -0.949 . . . . 0.0 109.852 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -105.6 -22.67 12.93 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.229 -0.919 . . . . 0.0 110.5 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.21 -28.07 12.13 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.133 -0.979 . . . . 0.0 110.806 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 6.0 tp -70.12 -36.31 6.03 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.02 -1.05 . . . . 0.0 110.982 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 36.1 Cg_exo . . . . . 0 N--CA 1.492 1.417 0 C-N-CA 121.525 1.483 . . . . 0.0 111.443 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.5 ' CD1' ' CD1' ' A' ' 55' ' ' TRP . 10.3 mt . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -44.05 162.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.482 2.121 . . . . 0.0 113.191 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -61.22 -41.98 97.8 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.615 -0.678 . . . . 0.0 110.033 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.12 -48.24 82.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.154 -0.966 . . . . 0.0 110.231 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -65.38 -41.28 93.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.143 -0.973 . . . . 0.0 109.639 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.35 -44.55 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.385 -0.822 . . . . 0.0 109.205 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -62.92 -47.91 81.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.961 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.93 -47.04 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.038 -1.039 . . . . 0.0 109.866 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.53 -42.92 91.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.238 -0.914 . . . . 0.0 109.611 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -66.03 -38.87 89.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.489 -0.757 . . . . 0.0 109.479 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.5 -46.34 70.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.474 -0.766 . . . . 0.0 109.428 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.435 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 14.3 m95 -51.92 -55.55 19.51 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 0.0 109.894 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 10.1 mp -62.95 -38.42 91.01 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.535 -0.728 . . . . 0.0 109.444 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.647 ' CD2' ' NH2' ' A' ' 28' ' ' ARG . 30.5 t80 -58.4 -42.04 86.24 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.302 -0.874 . . . . 0.0 109.161 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.91 -43.62 94.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 109.482 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -143.73 81.24 1.69 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.922 . . . . 0.0 109.019 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.647 ' NH2' ' CD2' ' A' ' 25' ' ' TYR . 83.3 mtt85 -61.42 -40.96 96.33 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.391 -0.818 . . . . 0.0 109.613 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -75.7 -77.18 0.13 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.506 -0.746 . . . . 0.0 110.207 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.74 62.62 0.27 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.369 -0.832 . . . . 0.0 109.781 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.4 -107.1 0.11 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.444 -0.785 . . . . 0.0 109.653 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CE2' ' NH1' ' A' ' 60' ' ' ARG . 25.7 m-85 41.64 68.75 2.4 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.711 -0.618 . . . . 0.0 110.187 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -59.82 144.24 99.48 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.637 2.225 . . . . 0.0 112.359 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 m -76.41 175.4 9.19 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.885 0.85 . . . . 0.0 110.527 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -58.93 -27.57 65.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.67 -0.643 . . . . 0.0 109.456 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.8 -41.78 97.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.314 -0.866 . . . . 0.0 109.79 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 55.4 mp0 -70.97 -38.12 72.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.848 . . . . 0.0 109.715 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.57 -45.43 94.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.103 -0.998 . . . . 0.0 109.764 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.71 -37.56 76.62 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.238 -0.914 . . . . 0.0 109.268 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.53 -44.93 92.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.382 -0.824 . . . . 0.0 109.597 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.45 -41.39 96.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.365 -0.834 . . . . 0.0 109.01 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.458 ' HG ' ' N ' ' A' ' 43' ' ' GLN . 78.2 p -63.23 -35.68 81.14 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.458 ' N ' ' HG ' ' A' ' 42' ' ' SER . 59.7 tt0 -71.18 -43.72 66.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.457 -0.777 . . . . 0.0 109.337 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.51 -43.52 85.06 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.354 -0.842 . . . . 0.0 109.803 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.6 p -95.14 168.86 10.49 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.258 -0.901 . . . . 0.0 109.682 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -93.15 10.42 31.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.614 -0.679 . . . . 0.0 109.4 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -90.69 155.28 18.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.248 -0.908 . . . . 0.0 109.982 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.6 p -76.6 165.93 24.1 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.908 0.861 . . . . 0.0 110.729 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 78.8 m -63.27 -42.4 99.12 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.492 0.663 . . . . 0.0 109.636 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.57 -42.04 95.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.201 -0.937 . . . . 0.0 109.454 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -63.15 -39.17 93.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 0.0 109.298 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.72 -44.08 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.893 . . . . 0.0 109.337 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -44.96 94.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.0 109.682 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -64.03 -41.52 97.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.384 -0.822 . . . . 0.0 109.261 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.5 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 72.1 t90 -66.41 -38.45 87.49 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.617 0.722 . . . . 0.0 109.257 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -60.71 -46.29 90.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.402 -0.811 . . . . 0.0 109.96 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.433 HD13 HG22 ' A' ' 57' ' ' ILE . 96.7 mt -62.72 -49.59 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.271 -0.893 . . . . 0.0 110.125 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.611 HD22 ' NH2' ' A' ' 62' ' ' ARG . 27.0 t-20 -69.0 -42.24 76.73 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.305 -0.872 . . . . 0.0 110.253 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.488 ' CB ' ' CZ3' ' A' ' 55' ' ' TRP . . . -67.05 -39.18 86.88 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.432 -0.792 . . . . 0.0 110.181 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.603 ' NH1' ' CE2' ' A' ' 32' ' ' TYR . 62.5 ttp180 -64.68 -43.81 92.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 109.837 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -80.95 -10.35 59.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.481 -0.762 . . . . 0.0 110.249 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.611 ' NH2' HD22 ' A' ' 58' ' ' ASN . 44.9 ttm180 -103.65 -26.34 12.82 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.249 -0.907 . . . . 0.0 109.954 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.3 mt -87.19 -48.28 8.17 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.085 -1.009 . . . . 0.0 111.218 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.409 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.2 mp -49.21 -50.82 61.75 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.152 -0.967 . . . . 0.0 111.322 -178.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 32.3 Cg_exo . . . . . 0 C--N 1.303 -1.816 0 C-N-CA 121.534 1.49 . . . . 0.0 111.902 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.6 mt . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -43.57 146.43 1.34 Allowed 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.044 1.83 . . . . 0.0 112.69 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.95 -38.8 89.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.492 -0.755 . . . . 0.0 109.838 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -58.23 -48.17 81.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.248 -0.907 . . . . 0.0 109.838 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -65.45 -40.06 92.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 109.45 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.4 t -66.32 -42.4 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.485 -0.759 . . . . 0.0 109.645 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -56.68 -43.78 80.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.869 . . . . 0.0 109.748 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.55 -44.7 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.144 -0.973 . . . . 0.0 109.453 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.83 -42.24 90.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.365 -0.834 . . . . 0.0 109.96 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -65.72 -41.49 92.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 109.868 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -60.29 -36.13 77.16 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.345 -0.847 . . . . 0.0 109.399 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.529 ' CE2' ' OE2' ' A' ' 37' ' ' GLU . 49.7 t90 -60.51 -45.31 94.29 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.411 -0.806 . . . . 0.0 109.61 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ARG . 6.5 mp -65.3 -45.02 86.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 0.0 110.097 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -64.33 -44.94 89.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 109.415 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.91 -32.11 70.25 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.542 -0.724 . . . . 0.0 109.766 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -134.43 58.33 1.77 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.565 -0.709 . . . . 0.0 109.503 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 24' ' ' LEU . 37.7 ptt-85 -68.05 -41.3 82.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 109.207 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -70.15 -43.45 70.87 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.425 -0.797 . . . . 0.0 109.534 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -91.01 42.46 1.1 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.427 -0.796 . . . . 0.0 108.876 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.497 ' CB ' HH12 ' A' ' 60' ' ' ARG . . . -91.67 78.79 5.48 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.435 -0.791 . . . . 0.0 108.981 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 21.2 p90 -112.95 96.77 39.54 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.407 -0.808 . . . . 0.0 108.82 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -52.51 136.94 57.63 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.11 1.873 . . . . 0.0 112.65 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 p -159.13 163.89 35.72 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.413 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 58.2 mp0 -68.12 -37.03 80.68 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.439 -0.788 . . . . 0.0 109.429 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 37' ' ' GLU . 16.9 pt20 -65.27 -42.12 93.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.244 -0.91 . . . . 0.0 109.638 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.529 ' OE2' ' CE2' ' A' ' 23' ' ' TRP . 47.0 tp10 -69.95 -47.16 63.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.48 -0.762 . . . . 0.0 109.629 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.35 -38.6 91.61 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.477 -0.764 . . . . 0.0 109.513 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.7 82.63 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.303 -0.873 . . . . 0.0 109.331 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.45 -43.56 97.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.297 -0.877 . . . . 0.0 109.29 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.0 -41.11 97.59 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.553 -0.717 . . . . 0.0 109.455 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 m -60.72 -37.04 80.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.381 -0.824 . . . . 0.0 109.674 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -65.04 -40.41 94.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.112 -0.993 . . . . 0.0 109.691 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -63.94 -40.58 96.78 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.406 -0.809 . . . . 0.0 110.081 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.6 p -100.09 169.9 8.85 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.351 -0.843 . . . . 0.0 109.781 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -99.54 31.7 3.07 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.8 mt -108.86 153.77 23.05 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.552 -0.717 . . . . 0.0 109.321 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.6 p -76.45 167.0 22.62 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.755 0.788 . . . . 0.0 111.214 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -62.41 -40.42 96.48 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.378 0.608 . . . . 0.0 109.788 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.35 -42.51 91.69 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.21 -0.931 . . . . 0.0 109.569 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -65.2 -41.99 93.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.17 -0.956 . . . . 0.0 109.863 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.35 -44.33 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 0.0 109.824 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.0 t -59.37 -43.04 92.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.162 -0.962 . . . . 0.0 109.843 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -64.03 -40.59 96.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.272 -0.893 . . . . 0.0 109.642 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -62.29 -41.59 98.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 0.0 109.972 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -62.82 -43.06 99.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.164 -0.96 . . . . 0.0 109.876 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.413 HD13 HG22 ' A' ' 57' ' ' ILE . 96.8 mt -62.0 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.181 -0.949 . . . . 0.0 110.096 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -77.89 -49.95 13.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.03 -1.044 . . . . 0.0 110.341 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.51 86.76 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.496 -0.753 . . . . 0.0 110.231 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.497 HH12 ' CB ' ' A' ' 31' ' ' ALA . 64.5 ttm-85 -63.16 -42.45 99.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.157 -0.965 . . . . 0.0 109.748 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 tpt85 -65.42 -16.67 63.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.447 -0.783 . . . . 0.0 110.417 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -114.1 -6.63 13.08 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.301 -0.875 . . . . 0.0 110.182 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.9 mt -113.75 -61.98 1.66 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.158 -0.964 . . . . 0.0 111.013 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -43.68 -53.99 11.3 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.359 -0.838 . . . . 0.0 110.746 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.309 -1.508 0 C-N-CA 121.417 1.411 . . . . 0.0 111.804 -179.81 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -67.06 165.65 25.67 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.608 2.205 . . . . 0.0 112.744 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -59.55 -38.9 82.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.744 -0.598 . . . . 0.0 109.581 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -58.07 -54.52 45.97 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 109.466 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -62.89 -41.54 99.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.8 t -63.93 -43.29 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.438 -0.788 . . . . 0.0 109.938 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -57.19 -46.38 82.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.088 -1.007 . . . . 0.0 109.82 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.67 -45.32 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.988 . . . . 0.0 109.773 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.45 -40.45 93.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.377 -0.827 . . . . 0.0 109.457 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.39 -42.98 97.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.366 -0.834 . . . . 0.0 109.559 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -59.06 -48.15 82.64 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.246 -0.909 . . . . 0.0 109.252 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -64.59 -41.33 96.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.359 -0.838 . . . . 0.0 109.657 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.09 -43.28 99.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.2 -0.937 . . . . 0.0 109.739 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.22 -44.83 96.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.885 . . . . 0.0 109.539 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.44 -37.82 83.59 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.299 -0.875 . . . . 0.0 109.812 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -100.02 24.23 8.83 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.355 -0.841 . . . . 0.0 109.155 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.658 ' NH2' ' HH ' ' A' ' 29' ' ' TYR . 62.3 ttp180 -61.07 -45.96 92.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.337 -0.852 . . . . 0.0 109.393 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.658 ' HH ' ' NH2' ' A' ' 28' ' ' ARG . 85.9 m-85 -78.37 -34.2 48.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.47 -0.769 . . . . 0.0 109.687 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 31' ' ' ALA . 11.8 m120 -94.59 20.2 8.82 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.426 -0.796 . . . . 0.0 109.243 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . -37.31 114.84 0.35 Allowed 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 121.346 0.594 . . . . 0.0 110.506 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.552 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 1.1 p90 -160.63 46.7 0.21 Allowed Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.353 -0.842 . . . . 0.0 109.599 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 32' ' ' TYR . 21.4 Cg_endo -60.27 82.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.266 1.978 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.407 ' OG ' ' OE1' ' A' ' 37' ' ' GLU . 4.8 p -89.64 -170.88 2.99 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.681 0.753 . . . . 0.0 110.451 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -58.39 -42.84 87.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.721 -0.612 . . . . 0.0 109.897 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -69.78 -41.63 74.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.157 -0.965 . . . . 0.0 110.086 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' OE1' ' OG ' ' A' ' 34' ' ' SER . 3.2 mp0 -65.51 -43.58 89.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.312 -0.867 . . . . 0.0 109.775 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.591 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 86.3 mttt -63.1 -40.74 98.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.289 -0.882 . . . . 0.0 109.726 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.3 97.19 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.042 -1.036 . . . . 0.0 109.605 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 tt -63.0 -48.54 78.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.261 -0.899 . . . . 0.0 109.349 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.2 -41.28 94.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.667 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' HIS . 67.4 m -59.97 -41.96 93.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.325 -0.859 . . . . 0.0 109.645 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -65.04 -39.37 93.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 0.0 109.694 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.01 -39.82 94.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.8 p -93.32 -6.47 47.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.279 -0.888 . . . . 0.0 108.787 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 42' ' ' SER . 54.5 t-80 59.47 20.97 9.38 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.3 mt -94.73 164.39 12.96 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.292 -0.88 . . . . 0.0 109.744 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -75.86 154.63 35.97 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.47 -0.769 . . . . 0.0 110.157 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 m -62.09 -41.03 97.77 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.425 ' CD1' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -60.63 -42.96 97.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.388 -0.82 . . . . 0.0 108.982 -178.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.04 -40.94 99.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.83 -43.92 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 0.0 109.63 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.591 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 1.1 t -55.99 -52.28 64.74 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.274 -0.891 . . . . 0.0 109.959 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.425 ' ND2' ' CD1' ' A' ' 50' ' ' LEU . 13.3 m-80 -63.44 -41.53 98.66 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.848 . . . . 0.0 109.473 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.65 -41.83 95.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.94 -43.22 98.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.888 . . . . 0.0 110.025 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.31 -49.99 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.166 -0.959 . . . . 0.0 110.311 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.629 ' ND2' ' N ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -77.62 -40.92 40.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.979 -1.076 . . . . 0.0 109.795 -179.306 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.629 ' N ' ' ND2' ' A' ' 58' ' ' ASN . . . -59.26 -48.16 82.67 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.33 -0.857 . . . . 0.0 109.495 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -62.7 -44.62 95.77 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.275 -0.891 . . . . 0.0 109.806 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -68.19 -10.17 52.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 0.0 109.973 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -108.17 -26.63 10.5 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.435 -0.79 . . . . 0.0 110.223 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' LEU . 94.8 mt -96.72 -62.76 1.22 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.114 -0.991 . . . . 0.0 111.349 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -39.78 -59.51 1.69 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.626 -0.671 . . . . 0.0 111.517 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo . . . . . 0 C--N 1.314 -1.281 0 C-N-CA 121.823 1.682 . . . . 0.0 112.562 -179.332 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.76 151.44 19.61 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 C-N-CA 122.582 2.188 . . . . 0.0 113.299 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.21 -37.3 79.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.787 -0.57 . . . . 0.0 109.537 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.82 -51.21 70.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.297 -0.877 . . . . 0.0 109.772 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.8 m -63.23 -42.83 99.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.87 . . . . 0.0 109.7 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.5 t -64.76 -42.33 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.629 -0.669 . . . . 0.0 109.616 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -55.65 -47.2 77.07 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.917 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.1 -44.81 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.234 -0.916 . . . . 0.0 109.863 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.57 -42.56 95.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.421 -0.799 . . . . 0.0 109.94 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -66.69 -41.59 87.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.369 -0.832 . . . . 0.0 109.435 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.12 -47.48 85.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 0.0 109.745 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.62 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 70.6 t-105 -64.03 -47.62 79.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.41 -0.806 . . . . 0.0 109.815 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.62 -40.38 95.38 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.347 -0.846 . . . . 0.0 109.72 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.471 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 86.9 t80 -58.91 -43.77 91.15 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.429 -0.794 . . . . 0.0 109.887 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.38 -37.14 82.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.191 -0.943 . . . . 0.0 109.683 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.62 ' CE1' ' CE2' ' A' ' 23' ' ' TRP . 46.6 m80 -81.04 -69.38 0.61 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.325 -0.859 . . . . 0.0 109.985 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' NE ' ' O ' ' A' ' 25' ' ' TYR . 83.5 mtm180 54.97 -76.61 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.596 -0.69 . . . . 0.0 110.627 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.578 ' N ' ' O ' ' A' ' 27' ' ' HIS . 98.2 m-85 -59.86 -43.93 94.4 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.195 -0.941 . . . . 0.0 110.081 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ALA . 98.8 m-20 -83.46 -106.09 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 0.0 110.083 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . 41.39 45.78 2.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.687 -0.633 . . . . 0.0 109.447 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -90.7 146.33 33.9 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.461 -0.775 . . . . 0.0 109.417 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -37.21 108.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.659 2.239 . . . . 0.0 112.822 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.5 p -151.73 140.15 20.52 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 109.635 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.12 -34.98 75.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.458 -0.776 . . . . 0.0 109.442 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -62.29 -42.38 99.3 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.477 -0.764 . . . . 0.0 109.657 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.22 -44.25 79.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.357 -0.839 . . . . 0.0 109.731 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.584 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 54.7 mtpt -64.56 -40.54 95.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.476 -0.765 . . . . 0.0 109.555 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.59 95.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.432 -0.792 . . . . 0.0 109.904 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.46 -55.85 20.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 109.588 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 10.0 mp -64.08 -41.5 97.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.428 -0.795 . . . . 0.0 110.138 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -60.31 -43.62 96.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.223 -0.923 . . . . 0.0 109.44 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -75.82 -34.31 60.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.282 -0.886 . . . . 0.0 109.458 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.02 -40.31 94.67 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.396 -0.815 . . . . 0.0 109.491 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.6 p -98.96 165.41 11.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.349 -0.844 . . . . 0.0 109.408 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 46' ' ' HIS . 86.4 t60 -89.96 26.19 1.9 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.625 -0.672 . . . . 0.0 109.406 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.0 mt -109.74 149.68 29.43 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.328 -0.857 . . . . 0.0 109.8 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.0 m -73.34 161.17 30.78 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.705 0.764 . . . . 0.0 110.388 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.494 ' O ' ' SG ' ' A' ' 53' ' ' CYS . 10.7 m -61.72 -40.8 96.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.632 -0.668 . . . . 0.0 109.67 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.02 -45.39 90.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.167 -0.958 . . . . 0.0 109.495 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.19 -41.88 99.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 109.489 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.82 -41.86 91.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.355 -0.841 . . . . 0.0 109.528 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.584 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 75.2 m -53.46 -50.54 65.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 110.055 -179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASN . 6.4 m120 -63.62 -42.77 98.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.288 -0.882 . . . . 0.0 109.484 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.466 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 84.2 t90 -63.86 -40.53 96.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.55 -0.719 . . . . 0.0 109.726 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -62.13 -42.81 99.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.477 -0.764 . . . . 0.0 110.191 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 57' ' ' ILE . 94.7 mt -60.47 -48.02 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.334 -0.854 . . . . 0.0 110.274 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.643 HD21 ' N ' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -78.2 -41.17 35.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.186 -0.947 . . . . 0.0 109.801 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.643 ' N ' HD21 ' A' ' 58' ' ' ASN . . . -60.53 -48.21 82.77 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.442 -0.787 . . . . 0.0 110.124 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -65.54 -42.51 91.85 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.354 -0.841 . . . . 0.0 109.517 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -73.86 -4.59 35.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.554 -0.717 . . . . 0.0 109.951 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -118.05 -18.58 9.38 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.453 -0.78 . . . . 0.0 109.776 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.9 mt -102.31 -59.12 1.76 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.107 -0.996 . . . . 0.0 111.332 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mp -47.71 -51.7 43.77 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.284 -0.885 . . . . 0.0 111.171 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 C--N 1.31 -1.464 0 C-N-CA 121.42 1.413 . . . . 0.0 112.332 -178.498 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -48.69 151.63 5.01 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.146 1.897 . . . . 0.0 112.47 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -61.98 -40.51 95.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.609 -0.682 . . . . 0.0 109.636 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.07 -51.67 62.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.498 -0.751 . . . . 0.0 110.076 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -63.19 -42.17 99.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.449 -0.782 . . . . 0.0 110.11 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.04 -44.59 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.507 -0.746 . . . . 0.0 109.908 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -55.61 -44.63 77.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.46 -0.775 . . . . 0.0 109.964 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.408 HD13 HG22 ' A' ' 19' ' ' ILE . 97.2 mt -65.58 -43.5 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.266 -0.896 . . . . 0.0 109.476 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.08 -41.29 97.37 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.446 -0.784 . . . . 0.0 109.935 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -62.72 -40.04 95.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.522 -0.736 . . . . 0.0 109.726 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.5 -41.72 98.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.359 -0.838 . . . . 0.0 109.697 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.625 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.8 t-105 -66.98 -41.25 87.12 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.643 0.735 . . . . 0.0 109.57 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -63.34 -43.2 98.4 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.618 0.723 . . . . 0.0 109.955 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.16 -42.62 99.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.447 -0.783 . . . . 0.0 109.878 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.14 -39.59 78.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.493 -0.754 . . . . 0.0 110.059 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.666 ' HD1' HD21 ' A' ' 30' ' ' ASN . 95.7 m-70 -95.2 27.96 3.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.362 -0.836 . . . . 0.0 109.121 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -67.78 -37.71 82.41 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.581 0.705 . . . . 0.0 109.637 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.64 -9.96 56.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.389 -0.819 . . . . 0.0 109.398 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.666 HD21 ' HD1' ' A' ' 27' ' ' HIS . 96.4 m-20 -93.96 -58.89 2.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.45 -0.781 . . . . 0.0 109.162 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 40.99 96.45 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.784 0.802 . . . . 0.0 110.378 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 11.8 p90 -159.27 70.82 3.43 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.548 -0.72 . . . . 0.0 109.554 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.94 135.43 68.38 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.891 2.394 . . . . 0.0 112.516 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.6 m -163.03 173.75 13.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.537 -0.727 . . . . 0.0 110.179 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -63.22 -42.11 99.21 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.55 0.691 . . . . 0.0 109.432 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -68.27 -41.46 81.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.544 -0.723 . . . . 0.0 109.47 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -67.49 -49.19 64.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.382 -0.824 . . . . 0.0 109.815 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -65.85 -40.34 91.63 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.395 -0.816 . . . . 0.0 109.483 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.24 93.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.519 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.33 -46.55 86.09 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.925 0.869 . . . . 0.0 109.226 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.64 -40.21 95.06 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.446 -0.784 . . . . 0.0 109.557 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.1 p -62.11 -38.82 90.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.564 -0.71 . . . . 0.0 109.56 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -66.64 -39.55 88.31 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.648 0.737 . . . . 0.0 109.831 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.32 -43.89 93.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.355 -0.841 . . . . 0.0 110.053 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.9 p -99.51 169.23 9.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 110.136 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -95.93 31.44 2.12 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.1 mt -110.96 154.07 24.63 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.722 0.772 . . . . 0.0 109.846 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.488 ' HG ' ' H ' ' A' ' 51' ' ' GLN . 12.8 p -75.81 166.37 23.63 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.866 0.841 . . . . 0.0 110.411 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.9 m -62.78 -42.94 99.92 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.746 0.784 . . . . 0.0 109.676 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.73 -42.06 98.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.567 -0.708 . . . . 0.0 110.087 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.488 ' H ' ' HG ' ' A' ' 48' ' ' SER . 25.5 mm100 -64.15 -45.92 86.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.389 -0.819 . . . . 0.0 109.882 -179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.11 -43.11 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-O 121.534 0.683 . . . . 0.0 110.01 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 t -60.81 -44.75 96.46 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.367 -0.833 . . . . 0.0 110.515 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -63.98 -43.3 96.15 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.35 -0.844 . . . . 0.0 109.384 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -68.49 -38.36 80.92 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.801 0.81 . . . . 0.0 109.109 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -59.71 -44.45 93.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.595 -0.69 . . . . 0.0 109.883 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.29 -45.77 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.399 -0.813 . . . . 0.0 109.684 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -70.32 -46.34 64.4 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.345 -0.847 . . . . 0.0 109.907 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.51 87.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.51 -0.744 . . . . 0.0 110.036 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.4 ' O ' ' CB ' ' A' ' 64' ' ' LEU . 73.8 ttp85 -64.7 -43.86 92.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.497 -0.752 . . . . 0.0 109.847 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -70.22 -12.65 61.74 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.195 -0.94 . . . . 0.0 110.281 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -108.29 -23.57 11.86 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.37 -0.831 . . . . 0.0 109.866 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.6 mt -105.73 -26.62 11.72 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.167 -0.958 . . . . 0.0 110.647 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 6.4 tp -72.64 -35.21 2.94 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.207 -0.933 . . . . 0.0 111.482 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 21.7 Cg_exo . . . . . 0 N--CA 1.493 1.485 0 C-N-CA 121.767 1.645 . . . . 0.0 111.931 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -65.67 160.84 41.5 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.458 2.105 . . . . 0.0 112.514 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.05 -35.58 75.44 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.343 -0.848 . . . . 0.0 109.454 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -62.27 -55.56 27.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 109.777 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -64.12 -41.98 97.04 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 109.629 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.5 -42.84 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 109.13 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -54.79 -43.34 72.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.247 -0.908 . . . . 0.0 109.478 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.42 HD13 HG22 ' A' ' 19' ' ' ILE . 96.8 mt -64.04 -46.29 94.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.09 -1.006 . . . . 0.0 109.49 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.54 -41.89 88.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.306 -0.871 . . . . 0.0 110.045 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -63.72 -40.99 98.12 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.437 -0.79 . . . . 0.0 109.526 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.97 -48.19 82.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.811 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -63.84 -45.83 87.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.143 -0.973 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.68 -41.1 98.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 0.0 109.261 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.603 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 61.1 t80 -59.52 -45.01 92.97 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.377 -0.827 . . . . 0.0 109.55 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.26 -38.29 90.57 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.378 -0.826 . . . . 0.0 109.725 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -121.26 54.8 1.09 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.603 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 19.6 ptp180 -64.55 -40.29 95.31 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.491 -0.756 . . . . 0.0 109.473 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -72.23 -77.79 0.09 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.334 -0.854 . . . . 0.0 110.231 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -76.72 93.53 3.68 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.242 -0.911 . . . . 0.0 109.177 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' TYR . . . -89.12 -75.16 0.45 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.493 -0.755 . . . . 0.0 109.439 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' ALA . 72.7 m-85 39.08 75.26 0.58 Allowed Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.946 -0.471 . . . . 0.0 109.994 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -78.03 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.42 2.08 . . . . 0.0 111.599 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 p -79.94 169.56 17.72 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.38 -0.825 . . . . 0.0 110.749 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.41 -38.95 85.62 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.424 0.63 . . . . 0.0 109.734 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -71.81 -39.88 69.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.931 . . . . 0.0 109.913 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.5 -50.57 70.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.243 -0.911 . . . . 0.0 110.107 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.733 ' HZ3' ' HG ' ' A' ' 53' ' ' CYS . 16.8 ptpt -66.07 -31.19 71.92 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.217 -0.927 . . . . 0.0 109.431 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.49 89.86 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.302 -0.873 . . . . 0.0 109.379 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.88 -46.44 84.91 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 109.939 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.82 -36.57 82.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.286 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 46' ' ' HIS . 40.5 t -59.85 -42.64 94.06 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.368 -0.832 . . . . 0.0 109.392 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.21 -38.31 90.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.235 -0.915 . . . . 0.0 109.246 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -64.77 -40.34 95.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.309 -0.87 . . . . 0.0 109.653 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.2 p -95.49 -5.88 41.91 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.222 -0.924 . . . . 0.0 108.667 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' SER . 86.1 t60 57.02 22.84 7.71 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.691 -0.63 . . . . 0.0 109.687 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.403 ' O ' ' OG ' ' A' ' 42' ' ' SER . 91.5 mt -88.78 167.96 12.86 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.316 -0.865 . . . . 0.0 110.317 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.713 ' HG ' ' H ' ' A' ' 51' ' ' GLN . 15.8 p -76.0 154.4 35.8 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.418 -0.801 . . . . 0.0 110.613 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.9 m -62.89 -44.06 97.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.34 -0.85 . . . . 0.0 109.121 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.52 -42.93 99.84 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.398 -0.814 . . . . 0.0 109.648 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.713 ' H ' ' HG ' ' A' ' 48' ' ' SER . 64.9 tt0 -65.03 -40.96 95.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.404 -0.81 . . . . 0.0 109.847 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.3 -45.81 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.149 -0.969 . . . . 0.0 109.933 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.733 ' HG ' ' HZ3' ' A' ' 38' ' ' LYS . 1.1 t -61.04 -48.63 80.88 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.222 -0.924 . . . . 0.0 110.054 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -63.4 -39.8 95.49 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.301 -0.874 . . . . 0.0 109.689 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -60.62 -40.08 90.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.847 . . . . 0.0 109.745 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.34 -45.69 93.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.168 -0.958 . . . . 0.0 109.793 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.87 -51.56 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.934 -1.104 . . . . 0.0 110.356 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -69.87 -42.12 73.91 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.101 -0.999 . . . . 0.0 110.2 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.24 92.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.261 -0.899 . . . . 0.0 109.778 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.57 -45.87 90.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.243 -0.91 . . . . 0.0 109.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -62.99 -18.89 63.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.135 -0.978 . . . . 0.0 110.341 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -109.51 -9.77 14.9 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.457 -0.777 . . . . 0.0 110.186 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 64' ' ' LEU . 90.0 mt -114.09 -63.87 1.39 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.33 -0.856 . . . . 0.0 111.128 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -39.04 -55.04 3.06 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.712 -0.617 . . . . 0.0 111.042 -177.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--N 1.306 -1.698 0 C-N-CA 120.934 1.089 . . . . 0.0 111.437 179.718 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -55.1 146.22 60.19 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.837 1.691 . . . . 0.0 112.39 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -49.67 -33.33 15.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.346 -0.846 . . . . 0.0 109.844 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -65.01 -48.37 74.14 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.293 -0.88 . . . . 0.0 109.94 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.7 p -70.24 -32.62 70.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.129 -0.982 . . . . 0.0 109.76 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.79 -44.35 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.104 -0.998 . . . . 0.0 109.175 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.34 -46.04 88.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.199 -0.938 . . . . 0.0 109.367 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.4 HD12 HG22 ' A' ' 19' ' ' ILE . 97.2 mt -64.72 -47.58 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.293 -0.879 . . . . 0.0 109.805 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.2 -42.25 84.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -0.865 . . . . 0.0 110.096 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.525 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 58.8 ttt85 -66.45 -42.2 87.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.352 -0.842 . . . . 0.0 109.687 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.5 -47.07 87.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.355 -0.841 . . . . 0.0 110.114 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -57.78 -43.16 85.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 109.709 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.28 -41.57 99.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.0 109.547 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.525 ' OH ' ' NH2' ' A' ' 21' ' ' ARG . 3.8 m-85 -62.03 -34.09 75.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.515 -0.741 . . . . 0.0 109.462 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.96 -37.43 81.56 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.328 -0.858 . . . . 0.0 110.169 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -125.45 66.37 1.15 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.501 -0.749 . . . . 0.0 109.426 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 30' ' ' ASN . 79.9 mtp85 -73.53 155.87 38.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.444 -0.785 . . . . 0.0 110.414 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.8 t80 67.19 -63.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.859 0 CA-C-O 121.272 0.558 . . . . 0.0 109.815 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' ARG . 53.2 t30 -82.4 98.47 8.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.085 -1.009 . . . . 0.0 109.835 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.35 66.34 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.149 -0.969 . . . . 0.0 108.445 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -76.66 155.59 83.29 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 109.625 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.28 128.87 24.07 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.868 1.712 . . . . 0.0 112.558 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.435 ' OG ' ' OE1' ' A' ' 37' ' ' GLU . 12.5 t -157.62 142.03 16.3 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.266 -0.896 . . . . 0.0 109.714 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.8 -36.31 78.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.565 -0.709 . . . . 0.0 109.582 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' O ' ' OE1' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -62.82 -47.54 82.99 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.179 -0.951 . . . . 0.0 109.85 -179.416 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.576 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 36.0 mp0 -68.66 -48.07 64.93 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.246 -0.909 . . . . 0.0 109.88 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.16 -40.14 96.69 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.109 -0.995 . . . . 0.0 109.414 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.414 ' C ' ' HG ' ' A' ' 42' ' ' SER . . . -62.66 -36.77 83.94 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.229 -0.919 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.59 -50.84 69.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -0.848 . . . . 0.0 109.65 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.76 -39.46 93.66 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.389 -0.819 . . . . 0.0 109.714 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 39' ' ' ALA . 98.3 p -58.33 -37.78 75.81 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.251 -0.906 . . . . 0.0 109.395 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -68.53 -40.85 80.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.35 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -66.27 -46.16 77.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.375 -0.828 . . . . 0.0 109.804 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.5 p -91.25 168.82 11.32 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.316 -0.865 . . . . 0.0 109.216 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -99.27 12.33 36.54 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -87.21 155.67 19.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 0.0 110.085 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.551 ' HG ' ' H ' ' A' ' 51' ' ' GLN . 92.4 p -75.73 160.79 29.66 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.823 0.82 . . . . 0.0 110.522 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 m -63.4 -42.9 98.79 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.0 109.363 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.6 tp -61.44 -44.44 97.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.306 -0.871 . . . . 0.0 109.492 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.551 ' H ' ' HG ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -66.1 -41.9 90.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.416 -0.803 . . . . 0.0 109.45 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.58 -43.04 94.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.638 -0.664 . . . . 0.0 109.354 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -56.87 -44.03 81.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.327 -0.858 . . . . 0.0 109.722 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -63.81 -43.92 94.83 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.319 -0.863 . . . . 0.0 109.823 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -70.37 -38.43 74.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 0.0 109.801 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -59.85 -46.41 89.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.869 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.77 -45.58 94.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.125 -0.985 . . . . 0.0 109.757 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -67.81 -40.37 83.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.352 -0.842 . . . . 0.0 109.862 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.24 86.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.426 -0.796 . . . . 0.0 110.365 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -62.71 -44.85 95.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.176 -0.953 . . . . 0.0 110.274 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -67.82 -17.1 64.4 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.223 -0.923 . . . . 0.0 110.171 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 tpt85 -104.35 -21.94 13.42 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.442 -0.786 . . . . 0.0 110.092 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' LEU . 82.9 mt -95.77 -66.12 0.93 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.19 -0.944 . . . . 0.0 111.019 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 6.1 mp -36.58 -64.27 0.39 Allowed Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 121.759 -0.588 . . . . 0.0 111.27 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 16.1 Cg_endo . . . . . 0 C--N 1.306 -1.672 0 C-N-CA 121.893 1.729 . . . . 0.0 112.32 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.8 147.39 95.34 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 122.733 2.289 . . . . 0.0 112.995 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -62.7 -40.3 96.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.67 -0.644 . . . . 0.0 109.783 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.72 -46.26 90.4 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.067 -1.021 . . . . 0.0 109.743 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -63.06 -43.21 99.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.13 -0.981 . . . . 0.0 109.654 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.7 t -66.25 -43.09 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.465 -0.772 . . . . 0.0 109.584 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -60.97 -44.64 97.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.844 . . . . 0.0 109.49 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.67 -45.35 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.139 -0.975 . . . . 0.0 109.659 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.58 -41.68 92.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.424 -0.798 . . . . 0.0 109.894 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -62.99 -43.69 98.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.16 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -63.38 -47.59 81.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.497 -0.752 . . . . 0.0 109.689 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -62.0 -50.32 72.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.847 . . . . 0.0 109.568 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' ARG . 51.7 tp -64.39 -42.42 96.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.293 -0.879 . . . . 0.0 109.687 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -60.69 -48.1 83.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.399 -0.813 . . . . 0.0 109.665 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.17 -38.55 85.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.399 -0.813 . . . . 0.0 109.553 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -103.71 30.82 4.8 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' LEU . 50.4 ptt85 -61.74 -38.8 89.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.647 -0.658 . . . . 0.0 109.819 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -73.69 -16.56 61.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.275 -0.89 . . . . 0.0 109.609 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' ALA . 34.6 t30 -120.83 -97.92 0.45 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.695 -0.628 . . . . 0.0 109.691 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . 39.52 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.785 -0.572 . . . . 0.0 110.2 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.479 ' C ' ' H ' ' A' ' 34' ' ' SER . 5.6 m-85 -99.78 154.34 37.3 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.433 -0.792 . . . . 0.0 109.533 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.94 26.33 0.21 Allowed 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.783 2.322 . . . . 0.0 111.437 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 32' ' ' TYR . 17.5 m -71.47 154.07 41.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 0.0 110.518 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.58 -34.08 77.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.466 -0.771 . . . . 0.0 109.944 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.17 -44.24 92.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.127 -0.983 . . . . 0.0 109.405 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -68.72 -38.58 80.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.304 -0.872 . . . . 0.0 109.504 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.627 ' HZ3' ' HG ' ' A' ' 53' ' ' CYS . 54.3 mtpt -64.29 -40.54 96.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.23 -0.919 . . . . 0.0 109.46 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.41 94.96 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.223 -0.923 . . . . 0.0 108.955 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tt -63.3 -43.68 97.17 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 122.052 0.93 . . . . 0.0 108.86 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.428 ' O ' ' OG1' ' A' ' 45' ' ' THR . 97.9 mt -70.7 -40.37 72.91 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.116 -0.99 . . . . 0.0 109.448 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 m -63.13 -48.25 79.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 0.0 110.464 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -69.44 -39.4 77.82 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 109.539 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.39 -39.42 85.6 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.409 -0.807 . . . . 0.0 109.565 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 41' ' ' LEU . 70.0 p -100.61 172.62 6.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.802 0.811 . . . . 0.0 109.704 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -96.66 9.03 42.82 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -94.09 145.51 24.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.275 -0.891 . . . . 0.0 110.015 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 m -74.23 174.12 9.22 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.761 0.791 . . . . 0.0 110.523 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -66.42 -34.08 77.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.606 -0.684 . . . . 0.0 109.637 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.83 -46.69 88.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.073 -1.017 . . . . 0.0 109.921 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.73 -39.96 73.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 109.616 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.54 -42.85 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.485 -0.759 . . . . 0.0 109.468 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.627 ' HG ' ' HZ3' ' A' ' 38' ' ' LYS . 8.3 t -61.42 -48.89 79.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.167 -0.958 . . . . 0.0 110.186 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.81 -44.36 93.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.291 -0.88 . . . . 0.0 109.736 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -70.33 -41.43 73.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.482 -0.761 . . . . 0.0 109.777 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.67 -48.98 76.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.264 -0.897 . . . . 0.0 110.22 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.6 -46.13 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.161 -0.962 . . . . 0.0 109.943 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -68.18 -41.93 80.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.372 -0.83 . . . . 0.0 109.677 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.98 -48.12 63.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.487 -0.758 . . . . 0.0 109.653 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -66.41 -45.68 79.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.9 . . . . 0.0 109.792 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -65.91 -22.72 66.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.363 -0.835 . . . . 0.0 110.086 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -98.42 -23.94 15.37 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.297 -0.877 . . . . 0.0 109.863 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 64' ' ' LEU . 44.2 mt -90.18 -72.12 0.58 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.136 -0.978 . . . . 0.0 110.995 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 63' ' ' LEU . 3.5 mm? -28.92 -64.31 0.18 Allowed Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.893 -0.505 . . . . 0.0 112.204 -178.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 13.4 Cg_endo . . . . . 0 C--N 1.303 -1.822 0 C-N-CA 121.654 1.569 . . . . 0.0 112.399 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.4 mt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -40.19 163.95 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.612 2.208 . . . . 0.0 113.313 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.95 -39.91 96.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.403 -0.81 . . . . 0.0 109.742 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -58.83 -50.99 71.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.027 -1.046 . . . . 0.0 109.579 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.0 t -63.76 -42.87 97.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.905 . . . . 0.0 109.76 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.92 -43.18 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.419 -0.801 . . . . 0.0 109.649 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -57.74 -47.91 81.1 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.144 -0.972 . . . . 0.0 109.867 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.49 -46.41 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.975 -1.078 . . . . 0.0 110.148 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.61 -41.6 92.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.243 -0.911 . . . . 0.0 109.777 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -63.31 -41.16 98.92 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.471 -0.768 . . . . 0.0 109.853 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.86 -48.67 79.14 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.179 -0.951 . . . . 0.0 109.796 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -61.55 -43.26 99.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.322 -0.861 . . . . 0.0 109.818 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.3 tp -66.64 -38.2 86.39 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.016 -1.053 . . . . 0.0 109.439 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -58.14 -44.12 87.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.48 -0.763 . . . . 0.0 109.68 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.08 -17.21 53.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.319 -0.863 . . . . 0.0 109.464 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -122.48 44.83 2.52 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.63 -0.669 . . . . 0.0 109.536 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.01 -42.2 97.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.422 -0.799 . . . . 0.0 109.311 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -89.79 -22.23 22.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.44 -0.788 . . . . 0.0 108.952 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -95.44 29.96 2.4 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.91 63.64 7.66 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.393 -0.817 . . . . 0.0 108.996 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.54 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 40.7 p90 -99.88 111.66 62.34 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.334 -0.853 . . . . 0.0 108.832 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -49.04 135.04 29.88 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.898 1.732 . . . . 0.0 113.001 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.6 t -165.39 154.42 12.18 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.178 -0.951 . . . . 0.0 109.692 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -65.27 -36.77 85.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.421 -0.799 . . . . 0.0 109.417 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.0 -47.0 79.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 0.0 109.941 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.63 -45.18 69.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.263 -0.898 . . . . 0.0 109.717 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.83 -40.76 95.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.759 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.07 95.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.107 -0.996 . . . . 0.0 109.478 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.97 -45.3 89.71 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.166 -0.959 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.3 -41.13 94.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.51 -0.744 . . . . 0.0 109.472 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.3 p -63.52 -34.61 78.17 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.351 -0.843 . . . . 0.0 109.67 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -69.04 -39.94 78.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.144 -0.972 . . . . 0.0 109.9 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.08 -41.85 94.66 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 109.603 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 p -96.34 -4.3 42.27 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.539 ' N ' ' O ' ' A' ' 42' ' ' SER . 78.8 m80 56.57 13.61 1.42 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.683 -0.635 . . . . 0.0 109.627 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -79.27 160.91 26.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.508 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 m -72.61 161.41 30.81 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.602 0.715 . . . . 0.0 110.403 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 m -61.32 -44.75 96.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.577 -0.702 . . . . 0.0 109.571 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 10.5 mp -63.04 -40.44 97.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.118 -0.988 . . . . 0.0 109.457 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -62.6 -43.61 98.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.14 -0.975 . . . . 0.0 109.386 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.62 -43.35 93.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.687 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.8 m -63.47 -43.09 98.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.88 . . . . 0.0 110.249 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -64.47 -46.96 80.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.95 -1.094 . . . . 0.0 109.571 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -67.97 -38.84 83.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.53 -0.731 . . . . 0.0 109.391 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -58.48 -45.91 87.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.457 -0.777 . . . . 0.0 110.039 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.64 -44.26 98.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.224 -0.923 . . . . 0.0 109.683 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -68.78 -47.54 65.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.11 -0.994 . . . . 0.0 110.402 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.44 94.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.767 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -64.04 -42.0 97.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.39 -0.819 . . . . 0.0 109.114 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -74.06 -12.07 60.51 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.761 -0.587 . . . . 0.0 110.105 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -110.26 -6.5 15.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.57 -0.706 . . . . 0.0 109.755 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' LEU . 81.0 mt -114.07 -66.98 1.03 Allowed 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.35 -0.844 . . . . 0.0 111.271 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 5.9 mp -39.62 -62.91 0.74 Allowed Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.582 -0.699 . . . . 0.0 111.294 -178.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 38.6 Cg_exo . . . . . 0 C--N 1.308 -1.594 0 C-N-CA 121.932 1.754 . . . . 0.0 112.063 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.93 146.95 91.91 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.406 2.071 . . . . 0.0 112.607 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -61.32 -37.83 84.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.615 -0.678 . . . . 0.0 109.49 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.87 -47.65 85.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.537 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.9 p -67.22 -40.06 86.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.134 -0.979 . . . . 0.0 109.355 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.38 -43.29 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.398 -0.814 . . . . 0.0 109.24 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.29 -49.05 79.32 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.265 -0.897 . . . . 0.0 109.649 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.65 -44.89 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.084 -1.01 . . . . 0.0 109.767 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.6 mt -63.36 -41.79 98.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.386 -0.821 . . . . 0.0 109.712 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.08 -39.28 91.89 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.369 -0.832 . . . . 0.0 109.376 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.76 -47.67 79.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -0.835 . . . . 0.0 109.684 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -60.47 -41.65 94.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.134 -0.979 . . . . 0.0 109.467 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.27 -40.89 98.67 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.3 -0.875 . . . . 0.0 108.883 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.551 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 3.0 m-85 -60.33 -43.18 96.63 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.719 -0.613 . . . . 0.0 109.696 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.03 -38.02 85.16 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.291 -0.881 . . . . 0.0 109.522 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -91.92 14.86 14.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 108.859 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.551 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 45.2 ttm180 -58.22 146.64 33.15 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.488 -0.758 . . . . 0.0 110.219 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.7 t80 69.18 -60.81 0.45 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.375 0.607 . . . . 0.0 109.642 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 31' ' ' ALA . 76.8 m-20 -62.75 -42.16 99.54 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.358 -0.839 . . . . 0.0 109.544 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' ' CD2' ' A' ' 32' ' ' TYR . . . 48.21 104.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.501 -0.75 . . . . 0.0 110.77 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 31' ' ' ALA . 26.6 m-85 -164.21 73.09 1.68 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.028 -1.045 . . . . 0.0 109.1 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.496 ' CG ' ' NH2' ' A' ' 60' ' ' ARG . 35.8 Cg_exo -60.5 148.71 89.96 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.906 2.404 . . . . 0.0 112.34 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 t -147.56 154.99 41.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.218 -0.926 . . . . 0.0 109.827 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -56.89 -22.2 35.37 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.473 -0.767 . . . . 0.0 109.814 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -60.23 -49.47 77.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.153 -0.967 . . . . 0.0 109.624 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 52.1 mp0 -68.15 -39.98 82.5 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.326 -0.859 . . . . 0.0 109.473 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -63.16 -40.83 98.69 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.317 -0.865 . . . . 0.0 109.468 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.78 -53.54 54.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.211 -0.931 . . . . 0.0 109.974 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.86 -40.49 95.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.869 . . . . 0.0 109.471 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.403 ' O ' ' OG1' ' A' ' 45' ' ' THR . 28.1 mt -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.272 -0.893 . . . . 0.0 109.669 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.6 p -62.08 -39.55 92.8 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.272 -0.892 . . . . 0.0 109.632 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -77.04 -45.97 25.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 0.0 109.452 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.79 -40.6 92.08 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.356 -0.84 . . . . 0.0 109.67 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 47' ' ' LEU . 22.9 p -107.77 129.69 55.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.519 -0.738 . . . . 0.0 109.12 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -71.17 42.68 0.07 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.665 -0.647 . . . . 0.0 109.488 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 45' ' ' THR . 86.4 mt -114.09 148.47 37.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.603 -0.686 . . . . 0.0 109.643 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -68.56 159.98 30.84 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.682 0.753 . . . . 0.0 110.684 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.7 m -61.79 -43.69 98.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.64 -0.663 . . . . 0.0 110.125 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 10.8 mp -62.95 -40.39 97.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.171 -0.956 . . . . 0.0 109.708 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -62.31 -41.24 98.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.334 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.57 -44.47 96.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.366 -0.833 . . . . 0.0 109.569 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -64.42 -47.28 79.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.37 -0.831 . . . . 0.0 110.11 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -63.61 -41.49 98.29 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.897 . . . . 0.0 109.196 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -66.3 -38.52 87.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.498 -0.751 . . . . 0.0 109.851 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.83 -46.36 87.86 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 109.892 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.19 -48.44 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.094 -1.004 . . . . 0.0 110.426 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -67.72 -42.78 81.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.997 -1.064 . . . . 0.0 110.057 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.51 81.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.278 -0.889 . . . . 0.0 109.58 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.496 ' NH2' ' CG ' ' A' ' 33' ' ' PRO . 37.2 ttm180 -62.55 -49.38 75.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.034 -1.041 . . . . 0.0 109.856 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -75.99 -5.54 46.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.191 -0.943 . . . . 0.0 110.052 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -107.03 -26.98 10.92 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.606 -0.684 . . . . 0.0 110.285 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.7 mt -98.05 -45.39 6.27 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.184 -0.947 . . . . 0.0 111.008 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.525 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.6 tp -51.68 -43.41 87.79 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.076 -1.015 . . . . 0.0 111.016 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 2.1 Cg_endo . . . . . 0 C--N 1.309 -1.506 0 C-N-CA 121.768 1.646 . . . . 0.0 111.187 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -43.64 157.72 0.12 Allowed 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.38 2.054 . . . . 0.0 113.259 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -44.53 96.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.463 -0.773 . . . . 0.0 110.106 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.89 -41.7 99.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.109 -0.994 . . . . 0.0 109.734 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -63.51 -43.58 96.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.065 -1.022 . . . . 0.0 109.515 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.47 -43.27 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.254 -0.904 . . . . 0.0 109.218 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -57.16 -44.97 83.98 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.332 -0.855 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.424 HG22 HD13 ' A' ' 19' ' ' ILE . 96.9 mt -64.22 -44.94 97.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.136 -0.978 . . . . 0.0 109.468 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.54 -42.37 92.0 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.918 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -65.59 -41.89 92.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.31 -0.869 . . . . 0.0 109.911 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.59 -46.17 91.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.275 -0.89 . . . . 0.0 110.207 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.539 ' NE1' ' OE2' ' A' ' 37' ' ' GLU . 68.3 t-105 -62.68 -41.14 98.94 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 109.615 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' ARG . 32.7 tp -63.04 -40.82 98.86 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.28 -0.887 . . . . 0.0 109.485 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CE1' ' NH2' ' A' ' 28' ' ' ARG . 3.7 m-85 -60.85 -37.88 83.6 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.345 -0.847 . . . . 0.0 109.191 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.44 -39.16 93.73 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.153 -0.967 . . . . 0.0 109.375 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -134.94 57.21 1.81 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.471 -0.768 . . . . 0.0 108.952 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 25' ' ' TYR . 4.3 ptp180 -71.07 -35.51 71.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.592 -0.693 . . . . 0.0 109.922 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -61.21 -47.15 87.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.183 -0.948 . . . . 0.0 110.142 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.438 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 21.7 t-20 -97.08 -105.08 0.17 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.191 -0.943 . . . . 0.0 110.216 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' N ' ' CG ' ' A' ' 30' ' ' ASN . . . 44.39 51.86 7.55 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.02 166.14 40.67 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 109.265 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.51 134.28 51.96 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.284 1.989 . . . . 0.0 113.074 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.724 ' HG ' ' H ' ' A' ' 37' ' ' GLU . 16.1 p -167.79 150.97 5.95 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.446 -0.784 . . . . 0.0 109.333 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 58.9 mp0 -71.2 -38.63 72.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.392 -0.818 . . . . 0.0 109.711 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -65.99 -43.24 88.34 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.242 -0.911 . . . . 0.0 109.984 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.724 ' H ' ' HG ' ' A' ' 34' ' ' SER . 51.0 tp10 -67.82 -43.73 78.94 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.233 -0.917 . . . . 0.0 109.611 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -63.01 -44.14 96.82 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.17 -0.956 . . . . 0.0 109.219 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.09 87.1 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.308 -0.87 . . . . 0.0 109.318 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.49 -48.66 76.74 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.338 -0.851 . . . . 0.0 109.421 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.85 -39.65 83.79 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.53 -0.731 . . . . 0.0 109.603 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 46' ' ' HIS . 38.2 t -60.85 -42.29 97.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.48 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.41 -40.68 93.66 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.197 -0.939 . . . . 0.0 109.138 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -64.86 -39.93 94.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.228 -0.92 . . . . 0.0 109.825 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.6 p -93.1 -10.56 35.56 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.252 -0.905 . . . . 0.0 109.116 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 42' ' ' SER . 59.2 m-70 60.86 7.65 1.55 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.533 -0.729 . . . . 0.0 109.121 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.403 ' O ' ' OG ' ' A' ' 42' ' ' SER . 91.9 mt -87.29 167.08 14.39 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.355 -0.84 . . . . 0.0 110.211 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.4 p -73.79 159.21 33.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.441 -0.787 . . . . 0.0 110.444 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.449 ' O ' ' SG ' ' A' ' 53' ' ' CYS . 30.1 p -67.92 -33.95 75.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.426 -0.796 . . . . 0.0 109.817 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.74 -45.37 93.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.136 -0.977 . . . . 0.0 109.844 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -70.3 -41.97 72.64 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.214 -0.929 . . . . 0.0 109.674 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.59 -43.67 93.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.289 -0.882 . . . . 0.0 109.71 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 49' ' ' THR . 87.3 m -61.83 -38.76 89.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.342 -0.849 . . . . 0.0 110.116 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -64.22 -41.16 97.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.091 -1.006 . . . . 0.0 109.728 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -59.45 -47.14 86.63 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.249 -0.907 . . . . 0.0 109.054 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.448 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 34.6 m-85 -65.73 -36.89 84.87 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.887 -1.125 . . . . 0.0 113.714 -177.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.02 -49.37 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 C-N-CA 115.868 -2.333 . . . . 0.0 108.89 -177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -68.97 -44.49 72.82 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.805 -1.185 . . . . 0.0 109.876 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.95 95.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.758 -1.214 . . . . 0.0 110.102 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 56' ' ' PHE . 79.8 mtp85 -63.47 -43.0 98.58 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.068 -1.02 . . . . 0.0 109.836 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.89 -17.73 62.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.189 -0.944 . . . . 0.0 110.184 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -104.56 -5.22 21.71 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.2 -0.937 . . . . 0.0 110.11 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' LEU . 79.0 mt -113.39 -66.28 1.1 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.301 -0.874 . . . . 0.0 110.425 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 6.4 mp -39.19 -64.13 0.54 Allowed Pre-proline 0 N--CA 1.498 1.948 0 O-C-N 121.485 -0.76 . . . . 0.0 110.987 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.428 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 12.6 Cg_endo . . . . . 0 N--CA 1.494 1.528 0 C-N-CA 121.784 1.656 . . . . 0.0 111.594 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.886 0.374 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.29 141.56 0.74 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.801 2.334 . . . . 0.0 113.046 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.71 -31.44 72.62 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.402 0.62 . . . . 0.0 110.038 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.4 -49.6 73.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.404 -0.81 . . . . 0.0 109.996 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.462 ' HG ' ' N ' ' A' ' 17' ' ' VAL . 77.6 p -67.82 -39.27 83.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.316 -0.865 . . . . 0.0 109.7 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.462 ' N ' ' HG ' ' A' ' 16' ' ' SER . 71.4 t -66.59 -42.32 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.559 -0.713 . . . . 0.0 109.488 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.98 -44.01 93.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.597 -0.689 . . . . 0.0 110.057 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.405 HG23 HD13 ' A' ' 19' ' ' ILE . 95.9 mt -65.28 -44.5 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.327 -0.858 . . . . 0.0 109.682 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.81 -41.02 92.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.481 -0.762 . . . . 0.0 109.643 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -65.21 -41.6 94.33 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.542 0.687 . . . . 0.0 109.667 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.43 -44.11 97.7 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.528 -0.733 . . . . 0.0 109.951 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.543 ' CZ2' ' NE2' ' A' ' 27' ' ' HIS . 72.8 t-105 -64.34 -47.86 77.73 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.708 0.766 . . . . 0.0 109.562 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.7 -40.6 95.65 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.681 0.753 . . . . 0.0 110.009 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.473 ' CD1' ' NH2' ' A' ' 28' ' ' ARG . 75.4 t80 -60.24 -46.28 90.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.448 -0.782 . . . . 0.0 109.7 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.77 -48.23 80.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.403 -0.811 . . . . 0.0 109.57 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.566 ' O ' ' N ' ' A' ' 29' ' ' TYR . 89.1 m-70 -77.9 -77.38 0.16 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.44 -0.788 . . . . 0.0 109.675 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.473 ' NH2' ' CD1' ' A' ' 25' ' ' TYR . 35.1 ttm180 57.41 -75.65 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.482 0.658 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.566 ' N ' ' O ' ' A' ' 27' ' ' HIS . 99.7 m-85 -61.31 -44.79 96.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.489 -0.757 . . . . 0.0 110.502 -178.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.495 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 77.2 m-20 -67.75 -61.87 1.68 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.098 -1.001 . . . . 0.0 109.589 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 45.9 98.7 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.916 0.865 . . . . 0.0 110.26 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 30' ' ' ASN . 41.7 m-85 -158.07 73.18 4.03 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.613 -0.679 . . . . 0.0 109.262 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.19 144.19 99.5 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.943 2.429 . . . . 0.0 112.3 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.511 ' HG ' ' H ' ' A' ' 35' ' ' GLU . 42.9 t -160.37 170.49 20.92 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.75 0.786 . . . . 0.0 109.86 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.511 ' H ' ' HG ' ' A' ' 34' ' ' SER . 58.5 mp0 -54.83 -22.21 13.75 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.536 0.684 . . . . 0.0 109.507 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -73.0 -57.68 3.86 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.499 -0.75 . . . . 0.0 109.477 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 37' ' ' GLU . 57.9 mp0 -72.35 -38.51 68.57 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.628 -0.67 . . . . 0.0 110.271 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.04 -43.24 99.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.349 -0.844 . . . . 0.0 109.53 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.97 76.41 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.652 0.739 . . . . 0.0 109.514 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.04 -45.26 86.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.506 -0.746 . . . . 0.0 110.031 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.14 -40.85 90.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.505 -0.747 . . . . 0.0 109.83 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.7 p -62.6 -39.26 93.17 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.505 0.669 . . . . 0.0 109.645 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -66.88 -44.8 79.95 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.535 -0.728 . . . . 0.0 109.461 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -70.57 -40.18 73.47 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.435 -0.791 . . . . 0.0 109.476 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p -87.11 165.79 15.49 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.814 0.816 . . . . 0.0 109.974 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -105.82 26.58 9.44 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.2 mt -109.42 150.42 28.1 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.755 0.788 . . . . 0.0 110.168 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.3 m -67.78 166.42 15.4 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.839 0.828 . . . . 0.0 110.395 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -61.94 -42.92 99.66 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.549 0.69 . . . . 0.0 109.595 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.5 -42.45 99.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.481 -0.762 . . . . 0.0 109.756 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.36 -40.37 95.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.499 -0.75 . . . . 0.0 109.368 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.92 -45.56 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.55 -0.719 . . . . 0.0 109.91 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.0 m -65.63 -45.75 81.85 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.366 -0.834 . . . . 0.0 109.417 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -64.96 -38.76 92.04 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.639 0.733 . . . . 0.0 109.393 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.402 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 85.7 t90 -58.35 -42.31 86.61 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.617 -0.677 . . . . 0.0 110.041 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -63.01 -44.39 96.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.41 -0.806 . . . . 0.0 110.104 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.61 -47.16 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.46 -0.775 . . . . 0.0 110.126 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -76.0 -44.58 38.89 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.44 -0.787 . . . . 0.0 110.247 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' LEU . . . -62.77 -44.81 95.2 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.549 -0.719 . . . . 0.0 110.072 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.53 -46.23 89.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.386 -0.821 . . . . 0.0 109.828 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.52 -16.49 63.45 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.439 -0.788 . . . . 0.0 110.039 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -102.1 -23.36 14.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.35 -0.844 . . . . 0.0 109.434 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 64' ' ' LEU . 69.3 mt -94.02 -70.21 0.72 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.34 -0.85 . . . . 0.0 110.909 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -31.39 -64.88 0.21 Allowed Pre-proline 0 N--CA 1.501 2.094 0 O-C-N 121.89 -0.506 . . . . 0.0 112.055 -178.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 17.4 Cg_endo . . . . . 0 C--N 1.303 -1.849 0 C-N-CA 121.602 1.535 . . . . 0.0 112.633 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.28 157.4 0.17 Allowed 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.579 2.186 . . . . 0.0 113.001 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -60.69 -41.33 94.94 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.458 0.647 . . . . 0.0 109.859 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -59.57 -48.17 82.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.457 -0.777 . . . . 0.0 109.633 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.5 t -64.39 -42.05 96.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.463 -0.773 . . . . 0.0 109.708 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.0 -43.2 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.449 -0.782 . . . . 0.0 109.459 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -45.41 91.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.333 -0.854 . . . . 0.0 109.613 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.411 HD12 HG22 ' A' ' 19' ' ' ILE . 95.7 mt -64.95 -45.05 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 CA-C-O 121.696 0.76 . . . . 0.0 109.526 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.88 -41.47 91.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.5 -0.75 . . . . 0.0 109.781 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -63.31 -43.27 98.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.428 -0.795 . . . . 0.0 109.637 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -62.3 -45.89 91.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.576 -0.703 . . . . 0.0 109.717 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -63.09 -46.61 86.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.845 . . . . 0.0 109.413 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.19 -40.44 96.11 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.808 0.813 . . . . 0.0 109.218 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.613 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 58.4 t80 -60.65 -47.82 84.55 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.625 -0.672 . . . . 0.0 110.134 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.71 -38.98 77.13 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.425 -0.797 . . . . 0.0 110.064 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.53 46.28 0.93 Allowed 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.613 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 16.9 ptp180 -66.31 -30.27 70.64 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 121.504 0.669 . . . . 0.0 109.777 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -61.78 -43.44 98.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.408 -0.808 . . . . 0.0 109.443 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -78.51 -104.95 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.464 -0.773 . . . . 0.0 109.652 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 64.31 44.93 4.08 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.393 0.616 . . . . 0.0 109.808 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.499 ' C ' ' H ' ' A' ' 34' ' ' SER . 10.5 m-85 -99.81 153.46 37.76 Favored Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 109.335 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.58 19.37 0.18 Allowed 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.858 2.372 . . . . 0.0 111.334 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 32' ' ' TYR . 32.1 t -63.42 149.23 46.46 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.724 0.773 . . . . 0.0 110.463 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.02 -34.16 77.77 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.507 0.67 . . . . 0.0 109.445 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.51 -40.17 95.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.456 -0.777 . . . . 0.0 109.468 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -65.96 -45.68 80.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.49 -0.756 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -66.04 -39.2 89.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.583 -0.698 . . . . 0.0 109.863 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.55 77.38 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.4 -0.813 . . . . 0.0 109.844 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.73 -43.01 97.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.327 -0.858 . . . . 0.0 109.682 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.85 -40.43 91.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.555 -0.716 . . . . 0.0 109.554 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -62.57 -36.48 82.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.589 -0.695 . . . . 0.0 109.504 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.22 -39.1 75.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.531 -0.73 . . . . 0.0 109.657 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -70.48 -39.87 73.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.451 -0.78 . . . . 0.0 109.908 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.463 ' C ' ' H ' ' A' ' 47' ' ' LEU . 81.5 p -110.65 128.84 55.86 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.826 0.822 . . . . 0.0 109.719 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -71.05 44.33 0.08 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 121.336 0.588 . . . . 0.0 109.51 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 45' ' ' THR . 95.5 mt -114.87 149.24 37.45 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.74 0.781 . . . . 0.0 109.943 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.2 p -70.75 165.66 22.57 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.858 0.837 . . . . 0.0 110.236 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.0 p -63.14 -40.2 96.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.675 -0.641 . . . . 0.0 109.912 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 10.5 mp -63.5 -42.26 98.51 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.47 -0.769 . . . . 0.0 109.492 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -68.38 -43.69 76.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.313 -0.867 . . . . 0.0 109.624 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -67.5 -43.3 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.531 -0.73 . . . . 0.0 109.776 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.4 t -60.01 -41.98 93.33 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.554 -0.716 . . . . 0.0 110.117 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -62.68 -49.18 76.13 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.185 -0.947 . . . . 0.0 109.73 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -69.34 -38.73 78.28 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.658 0.742 . . . . 0.0 109.763 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -59.26 -46.18 89.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.567 -0.708 . . . . 0.0 110.035 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.2 -49.21 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.163 -0.96 . . . . 0.0 109.955 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.501 HD22 ' NH2' ' A' ' 62' ' ' ARG . 36.5 t30 -65.69 -42.47 91.17 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.474 -0.766 . . . . 0.0 109.826 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.89 -34.38 75.33 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.549 0.69 . . . . 0.0 109.82 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -55.38 -60.54 3.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.446 -0.784 . . . . 0.0 109.258 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' A' ' 65' ' ' PRO . 84.1 mtt85 -61.68 -31.9 72.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.559 -0.713 . . . . 0.0 110.55 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.501 ' NH2' HD22 ' A' ' 58' ' ' ASN . 36.5 ttm180 -80.0 -15.23 57.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.387 -0.821 . . . . 0.0 110.948 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' LEU . 95.2 mt -114.34 -56.36 2.4 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.22 -0.925 . . . . 0.0 111.462 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . 3.7 mm? -36.87 -63.87 0.43 Allowed Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 121.655 -0.653 . . . . 0.0 111.41 -178.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.451 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 12.0 Cg_endo . . . . . 0 C--N 1.306 -1.694 0 C-N-CA 121.582 1.521 . . . . 0.0 111.663 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.08 152.11 83.42 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.339 2.026 . . . . 0.0 112.375 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.51 ' HZ1' HH22 ' A' ' 21' ' ' ARG . 56.5 tttp -62.5 -36.48 82.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.377 -0.827 . . . . 0.0 109.563 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -58.32 -53.42 58.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 109.712 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -63.52 -41.73 98.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 0.0 109.887 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.06 -43.47 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.481 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.59 -40.54 87.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.317 -0.864 . . . . 0.0 109.761 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.411 HG22 HD11 ' A' ' 19' ' ' ILE . 96.4 mt -63.59 -43.95 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.255 -0.903 . . . . 0.0 109.45 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.21 -43.09 99.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.259 -0.901 . . . . 0.0 109.564 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.51 HH22 ' HZ1' ' A' ' 14' ' ' LYS . 90.1 mtm180 -67.21 -38.36 85.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.374 -0.828 . . . . 0.0 109.379 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.78 -46.71 89.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.327 -0.858 . . . . 0.0 109.836 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.509 ' NE1' ' OE2' ' A' ' 37' ' ' GLU . 64.4 t-105 -66.98 -42.29 85.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.478 -0.764 . . . . 0.0 109.516 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.16 -40.92 90.91 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.13 -0.981 . . . . 0.0 109.761 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.33 -48.67 78.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.294 -0.879 . . . . 0.0 109.58 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' OE2' ' CE3' ' A' ' 23' ' ' TRP . 16.3 pt-20 -70.89 -35.79 72.47 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.233 -0.917 . . . . 0.0 109.021 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 28' ' ' ARG . 9.2 t-160 -80.38 -81.55 0.12 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.293 -0.879 . . . . 0.0 109.705 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' ASN . 16.1 ptm180 32.59 -146.14 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.123 0.487 . . . . 0.0 110.913 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 53.44 -84.06 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.649 -0.657 . . . . 0.0 109.793 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 28' ' ' ARG . 15.2 t-20 -112.55 10.76 19.61 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.4 92.9 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.412 -0.805 . . . . 0.0 109.234 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 30' ' ' ASN . 39.0 p90 -92.87 147.27 33.67 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.303 -0.873 . . . . 0.0 109.521 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.98 141.28 52.77 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.319 2.013 . . . . 0.0 112.44 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -161.23 157.65 26.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 109.642 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.18 -37.78 81.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.348 -0.845 . . . . 0.0 109.266 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.26 -44.84 86.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.292 -0.88 . . . . 0.0 109.64 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.509 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 50.1 tp10 -68.87 -47.11 66.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 0.0 109.569 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.491 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 98.4 mttt -64.95 -40.67 95.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.492 -0.755 . . . . 0.0 109.951 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.3 85.81 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.288 -0.882 . . . . 0.0 109.35 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.13 -43.99 96.85 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.593 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.71 -41.22 96.14 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.371 -0.831 . . . . 0.0 109.614 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.2 p -61.67 -41.09 97.07 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.323 -0.86 . . . . 0.0 109.504 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.49 -38.86 77.86 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.255 -0.903 . . . . 0.0 109.318 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.74 -40.91 88.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.454 -0.779 . . . . 0.0 109.656 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 p -97.65 -3.07 40.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.197 -0.94 . . . . 0.0 108.828 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 42' ' ' SER . 59.8 t-80 59.08 12.93 2.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.532 -0.73 . . . . 0.0 109.245 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.6 mt -80.97 163.02 23.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.349 -0.845 . . . . 0.0 110.477 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.5 m -72.53 152.69 41.72 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.495 -0.753 . . . . 0.0 110.386 -179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.7 m -62.58 -43.26 99.26 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.704 -0.622 . . . . 0.0 109.324 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.42 -43.45 98.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.458 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.94 -45.31 86.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.341 -0.85 . . . . 0.0 109.934 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.46 -43.28 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 109.701 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.491 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 36.0 t -61.72 -49.63 75.67 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.302 -0.874 . . . . 0.0 109.906 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -63.93 -42.12 97.44 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.136 -0.977 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -67.74 -40.08 84.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.542 -0.723 . . . . 0.0 109.792 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.04 -47.9 83.56 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.402 -0.812 . . . . 0.0 110.122 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.431 HD12 HG22 ' A' ' 57' ' ' ILE . 97.0 mt -65.79 -45.83 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.131 -0.981 . . . . 0.0 110.261 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -68.33 -40.6 81.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.231 -0.918 . . . . 0.0 110.439 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.67 88.8 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.318 -0.864 . . . . 0.0 110.172 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -64.71 -39.66 94.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.107 -0.996 . . . . 0.0 110.012 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -74.28 -7.65 53.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.52 -0.738 . . . . 0.0 110.052 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.6 mmt-85 -120.65 -5.98 9.7 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.381 -0.824 . . . . 0.0 110.064 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -110.98 -58.95 2.03 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.282 -0.886 . . . . 0.0 110.36 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.42 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -47.98 -50.86 51.79 Favored Pre-proline 0 C--N 1.304 -1.403 0 O-C-N 121.261 -0.899 . . . . 0.0 110.138 -178.424 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 35.6 Cg_exo . . . . . 0 C--N 1.309 -1.501 0 C-N-CA 121.403 1.402 . . . . 0.0 111.53 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.41 163.44 29.62 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.632 2.222 . . . . 0.0 112.843 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -58.97 -40.15 83.88 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.377 0.608 . . . . 0.0 109.531 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -56.95 -46.47 82.11 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.298 -0.876 . . . . 0.0 109.425 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -67.51 -36.46 81.09 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.355 -0.841 . . . . 0.0 109.457 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.78 -43.73 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.461 -0.775 . . . . 0.0 109.384 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -62.86 -43.11 99.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.407 -0.808 . . . . 0.0 109.37 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.96 -45.95 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.334 -0.854 . . . . 0.0 109.56 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.07 -40.05 82.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.534 -0.729 . . . . 0.0 109.714 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -62.12 -42.14 98.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.467 -0.771 . . . . 0.0 109.662 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.71 -45.05 95.62 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.473 -0.767 . . . . 0.0 109.379 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -65.46 -42.64 92.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.538 -0.726 . . . . 0.0 109.436 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.2 tp -67.92 -35.88 79.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.464 -0.773 . . . . 0.0 109.624 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -59.06 -48.54 81.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.424 -0.797 . . . . 0.0 109.672 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.18 -34.94 71.38 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.493 -0.754 . . . . 0.0 109.993 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -105.9 38.26 2.05 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.329 -0.857 . . . . 0.0 109.091 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.583 HH21 ' HH ' ' A' ' 29' ' ' TYR . 32.2 ptt180 -60.89 -34.78 75.16 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.583 ' HH ' HH21 ' A' ' 28' ' ' ARG . 66.3 m-85 -61.55 -41.53 97.51 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -90.08 90.82 8.29 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.769 0.795 . . . . 0.0 109.119 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 32' ' ' TYR . . . -95.99 68.03 2.71 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.53 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 1.7 t80 165.57 94.49 0.02 OUTLIER Pre-proline 0 C--N 1.301 -1.516 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -81.49 144.49 14.28 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.634 2.223 . . . . 0.0 112.437 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -80.77 171.15 15.38 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.871 0.843 . . . . 0.0 110.652 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -53.21 -43.74 67.45 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.5 0.667 . . . . 0.0 109.821 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -66.66 -41.85 87.54 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.298 -0.876 . . . . 0.0 109.485 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -66.7 -38.57 87.02 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.462 -0.774 . . . . 0.0 109.441 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -63.59 -39.29 94.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.52 -0.738 . . . . 0.0 109.427 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.72 93.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.487 -0.758 . . . . 0.0 109.272 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.54 -44.8 93.14 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.468 -0.77 . . . . 0.0 109.604 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.19 -40.31 90.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.553 -0.717 . . . . 0.0 109.453 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.7 p -61.83 -39.47 91.92 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.431 -0.793 . . . . 0.0 109.498 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.502 ' N ' ' HG ' ' A' ' 42' ' ' SER . 58.7 tt0 -68.7 -36.56 78.64 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 121.713 0.768 . . . . 0.0 109.334 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -64.38 -38.63 91.71 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.621 0.725 . . . . 0.0 109.171 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.9 p -98.8 -8.73 25.42 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.338 -0.851 . . . . 0.0 108.912 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 42' ' ' SER . 27.6 m-70 64.91 5.73 3.03 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.577 0.703 . . . . 0.0 109.23 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.4 mt -85.57 160.47 19.63 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.861 0.839 . . . . 0.0 110.375 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.8 m -73.15 155.42 39.66 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.719 0.771 . . . . 0.0 110.214 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 p -64.23 -35.75 81.83 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.553 0.692 . . . . 0.0 109.421 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.42 -42.63 98.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.505 -0.747 . . . . 0.0 109.283 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -66.73 -41.59 87.63 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.514 -0.741 . . . . 0.0 109.444 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.97 -43.21 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 CA-C-O 121.583 0.706 . . . . 0.0 109.531 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.3 t -57.67 -47.63 81.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.47 -0.768 . . . . 0.0 109.889 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -64.05 -44.7 91.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.461 -0.775 . . . . 0.0 109.709 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -66.13 -38.92 89.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.509 -0.745 . . . . 0.0 109.541 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.11 -43.68 91.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.619 -0.676 . . . . 0.0 109.798 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.6 -46.29 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.339 -0.851 . . . . 0.0 109.727 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -70.01 -43.19 71.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.219 -0.926 . . . . 0.0 109.727 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.62 -36.61 84.82 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.426 -0.796 . . . . 0.0 109.308 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -66.88 -42.41 85.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.531 -0.731 . . . . 0.0 109.758 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -70.12 -16.52 63.12 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.455 -0.778 . . . . 0.0 110.292 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -107.82 -31.05 8.19 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.326 -0.859 . . . . 0.0 110.363 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.9 mt -94.82 -40.9 9.5 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.081 -1.012 . . . . 0.0 111.168 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.569 ' N ' ' HD2' ' A' ' 65' ' ' PRO . 6.4 tp -53.37 -50.01 85.12 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.181 -0.95 . . . . 0.0 110.836 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 64' ' ' LEU . 19.0 Cg_endo . . . . . 0 N--CA 1.495 1.571 0 C-N-CA 121.442 1.428 . . . . 0.0 111.997 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.84 156.98 0.38 Allowed 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.911 1.741 . . . . 0.0 112.495 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -60.05 -43.35 95.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.453 -0.779 . . . . 0.0 109.49 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -66.58 -38.33 86.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.433 -0.792 . . . . 0.0 109.664 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -63.41 -41.12 98.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.17 -43.47 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.379 -0.826 . . . . 0.0 109.636 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.67 -45.14 94.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.374 -0.829 . . . . 0.0 110.002 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.86 -45.66 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.205 -0.935 . . . . 0.0 109.64 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.73 -40.85 88.54 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.445 -0.784 . . . . 0.0 109.228 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.85 -39.97 96.02 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.52 -49.27 78.0 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.296 -0.877 . . . . 0.0 109.819 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.569 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 62.9 t-105 -62.8 -46.27 88.77 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.302 -0.874 . . . . 0.0 109.164 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.31 -41.0 98.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.464 -0.773 . . . . 0.0 108.946 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CD2' ' NH1' ' A' ' 28' ' ' ARG . 52.8 t80 -60.05 -47.38 86.1 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.765 -0.585 . . . . 0.0 110.089 -178.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.0 -21.79 65.93 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.411 -0.806 . . . . 0.0 110.098 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.569 ' CE1' ' CE2' ' A' ' 23' ' ' TRP . 1.4 m80 -88.64 -85.88 0.18 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.163 -0.961 . . . . 0.0 110.412 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.571 ' NH1' ' CD2' ' A' ' 25' ' ' TYR . 89.3 mtm-85 46.12 -173.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.605 -0.684 . . . . 0.0 110.449 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 50.02 -82.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.375 0.607 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' ARG . 93.3 m-20 -68.67 -66.87 0.52 Allowed 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.596 -0.69 . . . . 0.0 109.805 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 56.77 116.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.583 0.706 . . . . 0.0 110.269 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' SER . 7.3 p90 -152.93 66.04 5.94 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.34 -0.85 . . . . 0.0 109.212 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -45.02 84.32 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.624 2.216 . . . . 0.0 111.766 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' TYR . 11.4 p -81.24 168.95 17.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.433 -0.792 . . . . 0.0 110.538 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -62.78 -43.29 99.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.603 -0.686 . . . . 0.0 109.269 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -66.2 -39.86 89.97 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.415 -0.803 . . . . 0.0 109.473 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.518 ' CD ' ' HE1' ' A' ' 23' ' ' TRP . 80.4 tt0 -65.71 -46.07 80.37 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.282 -0.886 . . . . 0.0 109.611 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.37 -42.94 92.21 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.422 -0.799 . . . . 0.0 109.581 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.9 99.2 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.518 -0.739 . . . . 0.0 109.379 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.86 -44.97 91.52 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.414 -0.804 . . . . 0.0 109.966 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.94 -40.57 91.48 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.441 -0.787 . . . . 0.0 109.56 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.2 p -62.12 -36.31 81.38 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.439 -0.788 . . . . 0.0 109.527 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -66.61 -42.33 87.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.219 -0.926 . . . . 0.0 109.634 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.47 -39.05 85.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.501 -0.749 . . . . 0.0 109.853 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 47' ' ' LEU . 43.4 p -94.68 -4.56 47.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.337 -0.852 . . . . 0.0 109.088 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' SER . 86.4 t60 57.25 0.74 0.09 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.681 -0.637 . . . . 0.0 110.807 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 45' ' ' THR . 82.3 mt -77.49 157.99 30.17 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.85 -1.156 . . . . 0.0 109.899 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -68.06 158.68 32.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.497 -0.752 . . . . 0.0 111.132 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.7 p -65.56 -35.71 81.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.619 -0.676 . . . . 0.0 109.748 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.97 -42.08 99.73 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.278 -0.889 . . . . 0.0 109.291 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.39 -46.62 72.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.311 -0.868 . . . . 0.0 110.03 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.01 -42.9 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.237 -0.915 . . . . 0.0 109.209 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.11 -58.6 7.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.586 -0.696 . . . . 0.0 110.254 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.41 ' N ' HD21 ' A' ' 54' ' ' ASN . 2.3 m120 -61.52 -40.73 95.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.316 -0.865 . . . . 0.0 109.425 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -59.5 -38.01 79.79 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.4 -0.813 . . . . 0.0 109.417 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -45.27 95.28 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.847 . . . . 0.0 110.162 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.2 mp -62.2 -48.04 90.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.191 -0.943 . . . . 0.0 109.807 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -71.95 -46.21 58.29 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.252 -0.905 . . . . 0.0 110.218 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.01 85.81 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.542 -0.724 . . . . 0.0 110.32 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.6 ttm-85 -66.01 -43.26 88.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.031 -1.043 . . . . 0.0 109.992 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -73.69 -16.56 61.2 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.4 -0.812 . . . . 0.0 110.548 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -101.38 -43.96 5.78 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.256 -0.903 . . . . 0.0 109.95 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.97 -40.48 95.06 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.435 -0.79 . . . . 0.0 110.528 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 3.4 mt -55.68 -64.67 2.0 Allowed Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.037 -1.039 . . . . 0.0 111.024 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 9.8 Cg_endo . . . . . 0 N--CA 1.495 1.559 0 C-N-CA 121.88 1.72 . . . . 0.0 111.763 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.83 151.38 77.57 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.891 2.394 . . . . 0.0 113.011 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -55.47 -36.42 66.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.574 -0.704 . . . . 0.0 109.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.48 -46.4 90.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.263 -0.898 . . . . 0.0 109.46 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -64.61 -40.19 95.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.45 -0.781 . . . . 0.0 109.263 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.19 -43.86 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.443 -0.786 . . . . 0.0 109.287 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -62.53 -44.57 96.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 0.0 109.521 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.84 -45.54 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.311 -0.868 . . . . 0.0 109.681 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.9 -39.82 87.53 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.452 -0.78 . . . . 0.0 109.623 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.76 -42.57 97.7 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.522 -0.736 . . . . 0.0 109.592 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.31 -52.62 64.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.379 -0.826 . . . . 0.0 110.083 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.568 ' CE2' ' ND1' ' A' ' 27' ' ' HIS . 88.8 t90 -58.03 -40.91 82.04 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 25' ' ' TYR . 58.0 tp -73.28 -43.27 61.3 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 118.313 -1.355 . . . . 0.0 113.962 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.467 ' CE1' ' NH1' ' A' ' 28' ' ' ARG . 90.3 t80 -54.86 -51.24 66.53 Favored 'General case' 0 N--CA 1.533 3.721 0 O-C-N 116.567 -3.833 . . . . 0.0 108.342 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' OE2' ' CE1' ' A' ' 27' ' ' HIS . 12.7 pt-20 -61.94 -22.47 65.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.749 -1.219 . . . . 0.0 110.596 178.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.568 ' ND1' ' CE2' ' A' ' 23' ' ' TRP . 36.9 m80 -117.82 33.64 5.54 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.16 -0.963 . . . . 0.0 109.382 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' NH1' ' CE1' ' A' ' 25' ' ' TYR . 34.9 ptt180 -65.86 -38.07 87.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.398 -0.814 . . . . 0.0 109.315 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -91.69 -17.66 25.13 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.336 -0.853 . . . . 0.0 109.276 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 32' ' ' TYR . 82.9 m-20 -91.65 12.06 22.36 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.41 86.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.718 0.77 . . . . 0.0 109.754 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.549 ' N ' ' O ' ' A' ' 30' ' ' ASN . 56.3 m-85 -141.52 70.51 26.13 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -44.45 82.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.942 2.428 . . . . 0.0 111.892 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 32' ' ' TYR . 17.2 m -95.32 -174.28 3.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.366 -0.833 . . . . 0.0 110.255 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.54 -42.1 83.26 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.613 0.72 . . . . 0.0 110.29 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -79.56 -39.87 30.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.876 . . . . 0.0 109.768 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.565 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 12.6 mp0 -65.04 -49.01 71.8 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.318 -0.864 . . . . 0.0 109.911 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' A' ' 39' ' ' ALA . 18.4 ptmt -65.21 -40.04 93.62 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.314 -0.866 . . . . 0.0 109.398 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 38' ' ' LYS . . . -65.48 -37.78 87.83 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.625 0.726 . . . . 0.0 109.17 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.64 -46.59 87.55 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.869 0.842 . . . . 0.0 109.378 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.52 -43.96 95.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 0.0 109.903 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.4 m -64.73 -40.51 95.46 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.401 -0.812 . . . . 0.0 109.628 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -65.7 -40.19 92.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.374 -0.829 . . . . 0.0 109.514 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -64.88 -39.76 94.05 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.215 -0.928 . . . . 0.0 109.438 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -96.77 169.84 9.59 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.956 0.884 . . . . 0.0 109.758 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -99.64 28.58 4.58 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.6 mt -115.6 154.02 30.19 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.865 0.841 . . . . 0.0 109.955 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -72.03 166.0 23.11 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.79 0.805 . . . . 0.0 110.28 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.2 p -65.2 -32.01 73.48 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.663 0.744 . . . . 0.0 109.272 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 tp -62.94 -42.6 99.86 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.32 -0.863 . . . . 0.0 109.499 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -66.46 -42.14 88.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.44 -0.787 . . . . 0.0 109.778 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.67 -42.33 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.444 -0.785 . . . . 0.0 109.659 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.5 -45.75 80.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.26 -0.9 . . . . 0.0 109.898 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -63.9 -44.14 93.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 109.837 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -67.57 -40.43 84.89 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.396 -0.815 . . . . 0.0 110.066 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.07 -43.65 95.3 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.42 -0.8 . . . . 0.0 110.091 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.06 -45.27 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.23 -0.918 . . . . 0.0 110.015 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.567 ' ND2' ' NE ' ' A' ' 62' ' ' ARG . 1.4 t-20 -72.62 -46.02 56.19 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 122.049 0.928 . . . . 0.0 109.933 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.56 81.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.086 -1.009 . . . . 0.0 109.558 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -63.67 -57.68 9.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.374 -0.829 . . . . 0.0 109.908 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.46 -8.23 8.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.403 -0.81 . . . . 0.0 109.803 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.567 ' NE ' ' ND2' ' A' ' 58' ' ' ASN . 82.7 mtm180 -102.76 -25.63 13.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.449 -0.782 . . . . 0.0 109.481 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' LEU . 79.9 mt -101.21 -56.84 2.21 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.069 -1.02 . . . . 0.0 110.4 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.464 ' N ' ' HD2' ' A' ' 65' ' ' PRO . 4.0 mm? -39.72 -57.54 2.5 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.714 -0.616 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 64' ' ' LEU . 24.3 Cg_exo . . . . . 0 C--N 1.309 -1.506 0 C-N-CA 121.66 1.574 . . . . 0.0 111.551 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.87 149.08 47.39 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -108.02 125.82 52.0 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.688 -0.889 . . . . 0.0 109.915 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -73.43 129.8 38.77 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.488 -0.758 . . . . 0.0 109.963 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -152.14 164.09 38.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.314 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -136.63 144.2 43.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.685 -0.634 . . . . 0.0 109.415 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -96.22 113.92 25.56 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.405 -0.81 . . . . 0.0 109.761 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -166.03 138.21 3.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.444 -0.785 . . . . 0.0 108.935 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.8 t -66.58 147.03 53.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.451 -0.781 . . . . 0.0 110.881 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -149.66 149.7 31.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.548 -0.72 . . . . 0.0 109.674 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.1 mtp -83.48 151.08 25.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.486 -0.759 . . . . 0.0 110.199 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.514 ' CD1' ' CD1' ' A' ' 55' ' ' TRP . 4.0 mt -77.0 164.55 58.43 Favored Pre-proline 0 C--N 1.304 -1.399 0 O-C-N 121.432 -0.793 . . . . 0.0 109.856 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.19 154.03 36.39 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.47 2.113 . . . . 0.0 113.012 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -60.2 -39.1 85.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.552 -0.717 . . . . 0.0 109.739 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.72 -44.33 97.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.066 -1.021 . . . . 0.0 109.564 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -67.78 -37.9 82.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.259 -0.901 . . . . 0.0 109.566 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.28 -42.81 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.441 -0.787 . . . . 0.0 109.18 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.624 HE22 HH21 ' A' ' 21' ' ' ARG . 69.9 tp60 -60.88 -49.76 76.16 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.224 -0.922 . . . . 0.0 109.666 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.438 HG21 HD12 ' A' ' 19' ' ' ILE . 96.6 mt -65.52 -45.02 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.252 -0.905 . . . . 0.0 109.761 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.81 -42.53 94.93 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.781 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.624 HH21 HE22 ' A' ' 18' ' ' GLN . 62.1 ttp180 -66.58 -39.92 88.69 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.523 -0.736 . . . . 0.0 109.398 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -58.94 -44.25 91.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.387 -0.821 . . . . 0.0 109.379 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -62.42 -47.12 85.48 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.346 -0.847 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.87 -43.31 96.46 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.427 -0.796 . . . . 0.0 109.464 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -61.19 -42.84 99.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.514 -0.741 . . . . 0.0 109.549 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.62 -33.66 69.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.443 -0.785 . . . . 0.0 109.892 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -118.9 57.83 0.86 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.429 0.633 . . . . 0.0 109.793 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -68.32 -37.94 81.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.566 -0.709 . . . . 0.0 109.502 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.546 ' C ' ' H ' ' A' ' 31' ' ' ALA . 36.0 m-85 -63.23 -72.09 0.15 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.531 -0.731 . . . . 0.0 110.189 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -71.78 33.68 0.06 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.506 -0.746 . . . . 0.0 109.75 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' H ' ' C ' ' A' ' 29' ' ' TYR . . . -75.36 -7.59 54.4 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CE2' ' OE1' ' A' ' 77' ' ' GLN . 28.8 m-85 -52.85 153.44 5.93 Favored Pre-proline 0 C--N 1.305 -1.365 0 O-C-N 121.372 -0.83 . . . . 0.0 109.875 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.57 130.05 21.27 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.053 1.835 . . . . 0.0 112.85 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.507 ' HG ' ' CD ' ' A' ' 37' ' ' GLU . 4.8 p -156.62 141.49 17.06 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.511 -0.743 . . . . 0.0 109.402 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.98 -35.06 74.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.51 -0.744 . . . . 0.0 109.685 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.458 ' H ' ' CD ' ' A' ' 36' ' ' GLN . 28.1 mp0 -61.82 -43.33 99.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.357 -0.839 . . . . 0.0 109.697 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -68.1 -45.29 74.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.267 -0.895 . . . . 0.0 109.595 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -63.51 -42.79 98.47 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.395 -0.816 . . . . 0.0 109.674 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.99 -42.97 79.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.321 -0.862 . . . . 0.0 109.885 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.03 -46.34 84.87 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.258 -0.901 . . . . 0.0 109.965 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.2 mt -65.38 -39.56 92.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.455 -0.778 . . . . 0.0 109.447 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 t -59.72 -44.73 93.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.471 -0.768 . . . . 0.0 109.875 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.36 -40.07 85.76 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.178 -0.951 . . . . 0.0 109.435 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.33 -42.49 88.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.875 . . . . 0.0 109.925 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 p -91.4 167.66 12.11 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.188 -0.945 . . . . 0.0 109.91 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -97.16 16.04 20.93 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.44 159.42 14.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.427 -0.796 . . . . 0.0 110.081 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 p -75.55 167.16 22.42 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.721 0.772 . . . . 0.0 110.423 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.9 m -61.9 -42.65 99.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.601 -0.687 . . . . 0.0 109.702 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 4.0 mm? -62.17 -42.81 99.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 0.0 109.83 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -64.61 -46.78 81.17 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.232 -0.918 . . . . 0.0 109.621 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.16 -43.46 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.321 -0.862 . . . . 0.0 109.715 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.9 t -62.34 -50.16 72.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 0.0 109.843 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -64.12 -41.95 97.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 0.0 109.154 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.514 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 75.4 t90 -65.49 -39.67 92.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.544 -0.723 . . . . 0.0 109.094 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.63 -44.26 97.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.419 -0.801 . . . . 0.0 109.517 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.49 -44.65 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 0.0 109.643 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.574 ' ND2' ' CZ ' ' A' ' 62' ' ' ARG . 66.6 t30 -74.43 -51.68 14.22 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.359 -0.838 . . . . 0.0 110.09 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.09 82.12 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.373 -0.829 . . . . 0.0 109.67 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.473 HH12 ' NE2' ' A' ' 77' ' ' GLN . 72.6 ttp85 -61.68 -43.34 99.05 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.44 -0.788 . . . . 0.0 109.478 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -65.66 -17.13 64.38 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.853 . . . . 0.0 110.26 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.574 ' CZ ' ' ND2' ' A' ' 58' ' ' ASN . 90.6 mtm180 -108.72 -17.61 13.91 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.393 -0.817 . . . . 0.0 110.371 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.5 mt -95.98 -44.23 7.45 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.126 -0.984 . . . . 0.0 110.984 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.501 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.1 tp -56.91 -45.69 99.93 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.156 -0.965 . . . . 0.0 111.054 -178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 32.4 Cg_exo -54.76 -44.6 48.1 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 121.432 1.421 . . . . 0.0 111.766 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.39 -48.4 67.48 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.354 0.597 . . . . 0.0 110.117 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.3 mmt -67.24 -42.29 84.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.357 -0.84 . . . . 0.0 110.158 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.25 -44.51 91.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -67.13 -40.27 86.75 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.173 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -65.03 -45.11 86.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.619 -0.676 . . . . 0.0 109.503 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -82.59 -74.09 0.37 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.346 -0.846 . . . . 0.0 109.524 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.91 42.94 3.43 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -106.7 -20.25 13.41 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.509 -0.995 . . . . 0.0 108.985 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -170.75 67.29 0.49 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.271 -0.893 . . . . 0.0 109.538 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.93 111.13 2.91 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.393 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -165.61 -176.09 3.78 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.63 -0.669 . . . . 0.0 109.62 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.503 ' OE1' ' CE2' ' A' ' 32' ' ' TYR . 65.9 tt0 54.39 104.6 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.681 -0.637 . . . . 0.0 110.541 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 77' ' ' GLN . 93.8 m-85 36.25 96.31 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.573 0.701 . . . . 0.0 110.893 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.7 p -92.42 6.63 46.31 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.6 tt -51.04 143.96 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-O 121.764 0.792 . . . . 0.0 110.354 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.4 t -61.8 -141.64 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.602 0.715 . . . . 0.0 110.714 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -85.93 49.94 1.88 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.504 -0.748 . . . . 0.0 109.855 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 53.59 82.2 0.08 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.577 -0.702 . . . . 0.0 110.13 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.71 -100.64 0.45 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 61.04 28.26 18.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.539 -0.977 . . . . 0.0 109.419 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -97.12 0.01 47.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -0.834 . . . . 0.0 108.944 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.541 ' CD1' ' N ' ' A' ' 87' ' ' ILE . 1.7 mp -81.43 131.58 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -0.896 . . . . 0.0 109.752 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.7 t -162.2 125.09 2.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.395 -0.816 . . . . 0.0 109.341 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 117.792 -1.099 . . . . 0.0 108.841 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.502 0.668 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.16 -106.48 0.2 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 45.12 85.01 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.882 0.849 . . . . 0.0 109.727 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -81.43 136.61 35.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.518 -0.739 . . . . 0.0 110.21 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -68.45 -34.49 76.07 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.55 0.691 . . . . 0.0 109.726 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.576 ' O ' ' N ' ' A' ' 8' ' ' HIS . 96.3 m-70 -58.31 -41.27 84.12 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.297 -0.877 . . . . 0.0 109.597 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.8 t60 59.61 -69.84 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 121.419 0.628 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.576 ' N ' ' O ' ' A' ' 6' ' ' HIS . 0.4 OUTLIER -151.19 149.52 29.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.121 -0.987 . . . . 0.0 109.845 -179.694 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 p -160.04 163.92 33.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.375 -0.828 . . . . 0.0 110.093 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 11' ' ' MET . 49.6 p-80 -61.31 -148.66 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.775 0.797 . . . . 0.0 111.322 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.437 ' N ' ' CD2' ' A' ' 10' ' ' HIS . 79.0 mtm -77.89 -170.49 1.91 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.737 0.78 . . . . 0.0 110.602 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.82 159.73 80.99 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.609 -0.682 . . . . 0.0 110.557 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -50.37 146.03 19.86 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.502 2.135 . . . . 0.0 113.278 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.71 -43.2 94.22 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.435 0.636 . . . . 0.0 109.522 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.29 -45.91 91.15 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.124 -0.985 . . . . 0.0 109.612 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.442 ' HG ' ' N ' ' A' ' 17' ' ' VAL . 77.4 p -69.1 -39.8 78.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.259 -0.901 . . . . 0.0 109.806 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.442 ' N ' ' HG ' ' A' ' 16' ' ' SER . 49.9 t -65.16 -43.65 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.403 -0.811 . . . . 0.0 109.484 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -62.32 -43.34 99.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.44 -0.787 . . . . 0.0 109.713 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.89 -46.15 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.205 -0.934 . . . . 0.0 109.405 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.71 -41.88 87.26 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.382 -0.824 . . . . 0.0 109.39 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -64.59 -41.55 96.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.484 -0.76 . . . . 0.0 109.195 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.02 -40.42 95.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.412 -0.805 . . . . 0.0 109.145 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.484 ' NE1' ' OE2' ' A' ' 37' ' ' GLU . 45.4 t-105 -59.81 -47.82 84.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.909 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.83 -42.7 97.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.405 -0.809 . . . . 0.0 109.86 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -63.47 -39.1 93.55 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.297 -0.877 . . . . 0.0 109.433 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -65.48 -38.51 89.98 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.384 -0.822 . . . . 0.0 109.604 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.553 ' HD1' ' H ' ' A' ' 80' ' ' ILE . 17.4 m-70 -127.1 70.21 1.29 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.314 -0.866 . . . . 0.0 109.043 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' CD ' ' SD ' ' A' ' 67' ' ' MET . 88.6 mtm180 -67.16 -39.21 86.47 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.573 -0.704 . . . . 0.0 109.596 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.44 ' C ' ' H ' ' A' ' 31' ' ' ALA . 71.5 m-85 -66.51 -34.0 76.95 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.363 -0.836 . . . . 0.0 109.75 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.536 ' C ' ' H ' ' A' ' 32' ' ' TYR . 62.3 t-20 -72.03 47.21 0.15 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 108.795 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 29' ' ' TYR . . . -72.08 36.98 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.588 0.709 . . . . 0.0 109.445 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.536 ' H ' ' C ' ' A' ' 30' ' ' ASN . 24.2 m-85 -136.91 76.3 46.63 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -58.67 146.47 91.8 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 123.183 2.589 . . . . 0.0 112.306 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.8 m -125.45 157.34 37.18 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.802 0.81 . . . . 0.0 110.024 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -52.26 -40.17 61.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.645 -0.659 . . . . 0.0 109.487 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -66.17 -40.57 90.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.392 -0.817 . . . . 0.0 109.087 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.484 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 79.7 tt0 -68.89 -40.65 79.08 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.387 -0.821 . . . . 0.0 109.688 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.595 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 99.2 mttt -63.52 -41.54 98.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.289 -0.882 . . . . 0.0 109.707 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.21 83.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.152 -0.968 . . . . 0.0 109.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -62.5 -48.38 79.8 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.905 . . . . 0.0 109.587 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.2 -40.18 82.23 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.471 -0.768 . . . . 0.0 110.253 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' THR . 11.4 t -62.16 -41.21 98.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.345 -0.847 . . . . 0.0 109.739 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -64.06 -41.01 97.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 0.0 109.437 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -65.58 -42.83 91.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -0.878 . . . . 0.0 109.933 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' SER . 80.5 p -98.18 177.98 5.22 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 0.0 109.898 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -99.56 36.61 1.74 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.66 -0.65 . . . . 0.0 109.539 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -115.23 149.07 38.32 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.83 0.824 . . . . 0.0 110.008 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -80.71 173.46 12.59 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.845 0.831 . . . . 0.0 110.523 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -62.49 -44.0 97.45 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 121.598 0.713 . . . . 0.0 109.878 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.94 -42.48 99.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.913 . . . . 0.0 109.713 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -64.26 -44.88 90.4 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.364 -0.835 . . . . 0.0 109.632 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.37 -43.75 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.433 -0.792 . . . . 0.0 109.827 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.595 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 8.3 t -60.89 -42.65 98.4 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.2 -0.938 . . . . 0.0 109.548 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -64.81 -40.38 95.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.414 -0.804 . . . . 0.0 109.396 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.63 -40.46 97.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.525 -0.735 . . . . 0.0 109.569 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -61.52 -46.62 89.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.188 -0.945 . . . . 0.0 110.135 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.57 -48.82 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.26 -0.9 . . . . 0.0 110.499 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -75.15 -44.04 49.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.237 -0.915 . . . . 0.0 110.604 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.68 -51.75 38.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.319 -0.863 . . . . 0.0 111.151 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -60.99 -44.92 96.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.259 -0.901 . . . . 0.0 109.941 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -65.92 -35.79 81.59 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.307 -0.87 . . . . 0.0 110.01 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -87.02 -13.22 45.04 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.175 -0.953 . . . . 0.0 110.222 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' O ' ' CB ' ' A' ' 67' ' ' MET . 39.8 mt -98.77 -32.58 11.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.125 -0.984 . . . . 0.0 110.293 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -58.3 -48.47 96.94 Favored Pre-proline 0 C--N 1.297 -1.698 0 O-C-N 121.13 -0.981 . . . . 0.0 110.515 -179.294 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 37.7 Cg_exo -54.99 -52.9 6.88 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 121.601 1.534 . . . . 0.0 111.897 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -76.22 -42.65 45.33 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.659 0.743 . . . . 0.0 110.171 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.482 ' SD ' ' CD ' ' A' ' 28' ' ' ARG . 57.9 ttm -61.73 -46.82 87.99 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.342 -0.849 . . . . 0.0 109.989 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.68 -42.58 95.24 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.431 -0.793 . . . . 0.0 110.071 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -64.76 -41.72 95.68 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.711 0.767 . . . . 0.0 109.034 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.41 -45.69 86.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.609 -0.682 . . . . 0.0 109.842 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -157.68 79.84 0.87 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.111 -0.993 . . . . 0.0 109.459 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' ASP . . . -59.97 -142.53 0.01 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 5.2 mptp? -47.26 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.588 -0.949 . . . . 0.0 109.999 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' GLY . 12.1 m-20 -158.89 76.91 3.22 Favored Pre-proline 0 C--N 1.302 -1.486 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.28 141.53 88.51 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.531 2.154 . . . . 0.0 111.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -164.13 -48.66 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.397 -0.815 . . . . 0.0 109.034 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -79.77 144.83 33.23 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 121.797 0.808 . . . . 0.0 110.344 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -58.47 105.28 0.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.687 0.756 . . . . 0.0 110.11 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.555 ' O ' ' N ' ' A' ' 81' ' ' SER . 44.6 p -88.94 162.16 16.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.683 -0.636 . . . . 0.0 110.559 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.553 ' H ' ' HD1' ' A' ' 27' ' ' HIS . 47.1 pt 33.8 28.24 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 CA-C-O 121.57 0.7 . . . . 0.0 110.874 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 79' ' ' THR . 32.6 m -92.99 -71.06 0.67 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.304 -0.872 . . . . 0.0 109.792 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -69.81 -1.02 8.16 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.23 -0.918 . . . . 0.0 109.284 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -67.5 133.82 50.2 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.775 0.797 . . . . 0.0 110.358 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.54 29.68 54.97 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.33 144.28 20.97 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.445 -1.032 . . . . 0.0 110.604 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.65 146.22 36.23 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.649 0.737 . . . . 0.0 110.098 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 88' ' ' SER . 19.5 tt -92.99 -5.88 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 CA-C-O 121.697 0.761 . . . . 0.0 109.375 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.415 ' HG ' ' N ' ' A' ' 89' ' ' GLU . 27.9 t 50.62 176.56 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.9 0.857 . . . . 0.0 110.904 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' N ' ' HG ' ' A' ' 88' ' ' SER . 17.2 pt-20 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.852 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ptm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.76 -176.9 53.43 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -105.02 123.53 47.96 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.584 -0.951 . . . . 0.0 109.631 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -167.54 127.7 1.42 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 109.52 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -152.88 124.29 7.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.25 -0.906 . . . . 0.0 110.08 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.566 ' CG ' ' H ' ' A' ' 7' ' ' HIS . 1.4 t-80 39.81 -157.52 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.664 0.745 . . . . 0.0 111.122 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.566 ' H ' ' CG ' ' A' ' 6' ' ' HIS . 77.6 m80 42.69 89.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.609 -0.682 . . . . 0.0 110.429 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 8' ' ' HIS . 40.6 p-80 -142.08 93.68 2.57 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.495 -0.753 . . . . 0.0 109.696 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' HIS . 81.6 p 41.26 -166.38 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.805 0.812 . . . . 0.0 110.845 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' LEU . 78.8 m80 -150.19 22.1 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 78.3 mtm 42.09 -96.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.564 0.697 . . . . 0.0 110.692 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' HIS . 12.1 mt -79.52 150.88 73.98 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.506 -0.747 . . . . 0.0 109.804 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.86 150.6 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.467 2.111 . . . . 0.0 113.246 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.15 -41.58 97.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.586 -0.696 . . . . 0.0 109.675 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.74 -48.74 78.77 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.141 -0.975 . . . . 0.0 109.396 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.1 m -62.2 -42.94 99.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.312 -0.868 . . . . 0.0 109.414 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.4 t -64.17 -44.04 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.832 . . . . 0.0 109.661 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.17 -46.03 90.76 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.29 -0.881 . . . . 0.0 110.013 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.21 -46.79 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.051 -1.031 . . . . 0.0 109.641 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.38 -41.48 89.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.4 -0.813 . . . . 0.0 109.657 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -62.66 -40.56 97.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.835 . . . . 0.0 109.343 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.2 -46.76 87.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.235 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 59.9 t-105 -61.4 -47.07 87.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.9 . . . . 0.0 109.157 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' ARG . 56.7 tp -63.2 -41.65 99.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.36 -0.837 . . . . 0.0 109.209 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -59.69 -47.3 86.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.455 -0.778 . . . . 0.0 109.514 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.89 -37.92 85.3 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.167 -0.958 . . . . 0.0 109.508 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -102.01 23.71 11.12 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.424 -0.798 . . . . 0.0 109.304 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 24' ' ' LEU . 39.4 ptt180 -50.58 -25.04 3.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 108.966 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -76.39 -97.38 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.484 -0.76 . . . . 0.0 109.63 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.16 113.01 19.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.834 . . . . 0.0 110.187 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.62 83.55 0.97 Allowed 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 3.1 p90 -97.57 151.88 37.87 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.29 -0.881 . . . . 0.0 109.649 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.42 125.58 14.17 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.185 1.923 . . . . 0.0 111.848 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.0 p -158.99 162.12 36.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.263 -0.898 . . . . 0.0 109.681 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -65.35 -35.92 82.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.276 -0.89 . . . . 0.0 109.471 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.54 -45.97 88.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.922 . . . . 0.0 109.779 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -68.04 -43.67 78.18 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.05 -1.031 . . . . 0.0 109.473 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.517 ' CE ' ' HG ' ' A' ' 53' ' ' CYS . 63.4 mttp -63.25 -42.23 99.14 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.177 -0.952 . . . . 0.0 109.347 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.2 98.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.346 -0.846 . . . . 0.0 110.03 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.05 -44.84 94.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.077 -1.014 . . . . 0.0 109.193 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.05 -40.52 96.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.679 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -59.81 -42.8 94.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 109.241 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.24 -40.45 97.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.905 . . . . 0.0 109.485 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.95 -41.14 91.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.099 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.2 p -106.82 -164.44 0.99 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.432 -0.793 . . . . 0.0 109.908 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -129.16 37.9 3.98 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.6 mt -111.28 150.98 28.86 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.554 -0.716 . . . . 0.0 109.86 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.4 p -72.73 167.91 19.85 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.548 0.689 . . . . 0.0 110.22 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.431 ' O ' ' SG ' ' A' ' 53' ' ' CYS . 38.9 p -64.62 -32.38 74.01 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.485 -0.759 . . . . 0.0 109.797 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.83 -45.1 95.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.172 -0.955 . . . . 0.0 109.447 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -68.2 -41.54 81.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 0.0 109.863 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.4 t -64.13 -43.84 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.457 -0.777 . . . . 0.0 110.105 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.517 ' HG ' ' CE ' ' A' ' 38' ' ' LYS . 79.1 m -61.18 -52.08 66.34 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.135 -0.978 . . . . 0.0 110.042 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -64.78 -42.68 94.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.141 -0.974 . . . . 0.0 109.888 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -67.12 -41.42 86.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.0 110.145 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.07 -46.71 89.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.158 -0.964 . . . . 0.0 110.027 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.02 -45.11 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 109.894 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -72.32 -48.01 45.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.289 -0.882 . . . . 0.0 110.25 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.54 92.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.353 -0.842 . . . . 0.0 109.62 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -64.96 -42.13 94.87 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -0.871 . . . . 0.0 109.377 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -66.5 -19.06 65.69 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.182 -0.949 . . . . 0.0 109.852 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -105.6 -22.67 12.93 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.229 -0.919 . . . . 0.0 110.5 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.21 -28.07 12.13 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.133 -0.979 . . . . 0.0 110.806 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 6.0 tp -70.12 -36.31 6.03 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.02 -1.05 . . . . 0.0 110.982 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 36.1 Cg_exo -59.26 -47.49 17.06 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.525 1.483 . . . . 0.0 111.443 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.532 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 99.6 m-20 -64.57 -44.94 89.13 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.637 -0.664 . . . . 0.0 110.061 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 21.4 mmt -62.86 -44.95 94.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.158 -0.964 . . . . 0.0 110.171 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.68 -44.2 91.12 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.171 -0.956 . . . . 0.0 109.613 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.532 ' NH2' ' OD1' ' A' ' 66' ' ' ASP . 88.3 mtm180 -68.66 -37.65 79.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.331 -0.855 . . . . 0.0 109.426 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.12 -45.66 93.79 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.419 -0.801 . . . . 0.0 109.657 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 73' ' ' LYS . 93.4 m-20 -85.35 -8.56 58.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.101 -0.999 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.7 -6.16 2.88 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.492 ' H ' ' C ' ' A' ' 71' ' ' ASP . 47.2 tttp -86.15 142.58 28.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -1.122 . . . . 0.0 110.079 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -137.27 78.2 39.88 Favored Pre-proline 0 N--CA 1.495 1.795 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -77.1 119.21 4.96 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.119 1.88 . . . . 0.0 111.529 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' A' ' 76' ' ' ASN . 42.3 p-10 -85.47 113.57 21.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -0.899 . . . . 0.0 110.214 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -151.59 -49.11 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.547 -0.72 . . . . 0.0 109.455 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -83.54 113.32 20.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.915 -1.115 . . . . 0.0 109.207 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.8 p -99.08 -14.97 19.18 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.424 -0.798 . . . . 0.0 109.357 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.5 mm -72.28 -2.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.267 -0.896 . . . . 0.0 109.301 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.2 p -79.78 167.28 20.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.425 -0.797 . . . . 0.0 110.481 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -81.79 -9.04 59.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.523 -0.735 . . . . 0.0 109.68 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -95.33 -5.2 43.98 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.09 -1.007 . . . . 0.0 108.541 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.74 -73.13 1.28 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.41 141.83 56.91 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.382 -1.07 . . . . 0.0 109.995 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -85.52 134.57 34.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.525 -0.735 . . . . 0.0 109.53 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.5 pt -119.85 -5.24 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.39 -0.819 . . . . 0.0 109.213 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.5 t -161.47 125.69 3.38 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.891 . . . . 0.0 109.511 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 117.883 -1.055 . . . . 0.0 109.598 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' A' ' 1' ' ' MET . 3.7 ppp? . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.651 0.739 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.48 -2.34 82.66 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -92.26 163.8 13.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.423 -1.045 . . . . 0.0 110.16 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -66.05 121.69 15.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.328 -0.858 . . . . 0.0 110.066 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -170.64 -60.48 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -66.55 -44.56 82.03 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.478 -0.764 . . . . 0.0 110.064 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -155.56 164.38 38.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.939 -1.1 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.709 ' CG ' ' H ' ' A' ' 9' ' ' SER . 9.8 t-80 -78.05 -148.63 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.329 -0.857 . . . . 0.0 110.754 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.709 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 69.2 m -76.59 -2.9 34.85 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.466 -0.771 . . . . 0.0 109.16 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -148.31 158.41 44.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.215 -0.928 . . . . 0.0 109.86 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.479 ' SD ' ' N ' ' A' ' 11' ' ' MET . 2.5 mpp? -83.82 -75.54 0.33 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.466 -0.771 . . . . 0.0 110.068 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' CD1' ' CD1' ' A' ' 55' ' ' TRP . 10.3 mt -76.58 151.59 82.88 Favored Pre-proline 0 C--N 1.299 -1.607 0 O-C-N 121.393 -0.817 . . . . 0.0 109.495 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -44.05 162.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.482 2.121 . . . . 0.0 113.191 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -61.22 -41.98 97.8 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.615 -0.678 . . . . 0.0 110.033 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.12 -48.24 82.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.154 -0.966 . . . . 0.0 110.231 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -65.38 -41.28 93.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.143 -0.973 . . . . 0.0 109.639 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.35 -44.55 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.385 -0.822 . . . . 0.0 109.205 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -62.92 -47.91 81.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.961 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.93 -47.04 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.038 -1.039 . . . . 0.0 109.866 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.53 -42.92 91.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.238 -0.914 . . . . 0.0 109.611 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -66.03 -38.87 89.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.489 -0.757 . . . . 0.0 109.479 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' OD2' ' NH2' ' A' ' 83' ' ' ARG . 65.2 t0 -53.5 -46.34 70.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.474 -0.766 . . . . 0.0 109.428 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.435 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 14.3 m95 -51.92 -55.55 19.51 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 0.0 109.894 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 10.1 mp -62.95 -38.42 91.01 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.535 -0.728 . . . . 0.0 109.444 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.647 ' CD2' ' NH2' ' A' ' 28' ' ' ARG . 30.5 t80 -58.4 -42.04 86.24 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.302 -0.874 . . . . 0.0 109.161 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.91 -43.62 94.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 109.482 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -143.73 81.24 1.69 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.922 . . . . 0.0 109.019 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.647 ' NH2' ' CD2' ' A' ' 25' ' ' TYR . 83.3 mtt85 -61.42 -40.96 96.33 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.391 -0.818 . . . . 0.0 109.613 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.579 ' HH ' ' CD2' ' A' ' 68' ' ' LEU . 96.7 m-85 -75.7 -77.18 0.13 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.506 -0.746 . . . . 0.0 110.207 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.74 62.62 0.27 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.369 -0.832 . . . . 0.0 109.781 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.4 -107.1 0.11 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.444 -0.785 . . . . 0.0 109.653 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CE2' ' NH1' ' A' ' 60' ' ' ARG . 25.7 m-85 41.64 68.75 2.4 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.711 -0.618 . . . . 0.0 110.187 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -59.82 144.24 99.48 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.637 2.225 . . . . 0.0 112.359 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 m -76.41 175.4 9.19 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.885 0.85 . . . . 0.0 110.527 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -58.93 -27.57 65.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.67 -0.643 . . . . 0.0 109.456 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.8 -41.78 97.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.314 -0.866 . . . . 0.0 109.79 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 55.4 mp0 -70.97 -38.12 72.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.848 . . . . 0.0 109.715 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.57 -45.43 94.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.103 -0.998 . . . . 0.0 109.764 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.71 -37.56 76.62 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.238 -0.914 . . . . 0.0 109.268 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.53 -44.93 92.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.382 -0.824 . . . . 0.0 109.597 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.45 -41.39 96.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.365 -0.834 . . . . 0.0 109.01 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.458 ' HG ' ' N ' ' A' ' 43' ' ' GLN . 78.2 p -63.23 -35.68 81.14 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.458 ' N ' ' HG ' ' A' ' 42' ' ' SER . 59.7 tt0 -71.18 -43.72 66.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.457 -0.777 . . . . 0.0 109.337 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.51 -43.52 85.06 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.354 -0.842 . . . . 0.0 109.803 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.6 p -95.14 168.86 10.49 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.258 -0.901 . . . . 0.0 109.682 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -93.15 10.42 31.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.614 -0.679 . . . . 0.0 109.4 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -90.69 155.28 18.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.248 -0.908 . . . . 0.0 109.982 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.6 p -76.6 165.93 24.1 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.908 0.861 . . . . 0.0 110.729 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 78.8 m -63.27 -42.4 99.12 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.492 0.663 . . . . 0.0 109.636 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.57 -42.04 95.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.201 -0.937 . . . . 0.0 109.454 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -63.15 -39.17 93.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 0.0 109.298 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.72 -44.08 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.893 . . . . 0.0 109.337 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -44.96 94.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.0 109.682 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -64.03 -41.52 97.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.384 -0.822 . . . . 0.0 109.261 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.5 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 72.1 t90 -66.41 -38.45 87.49 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.617 0.722 . . . . 0.0 109.257 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -60.71 -46.29 90.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.402 -0.811 . . . . 0.0 109.96 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.433 HD13 HG22 ' A' ' 57' ' ' ILE . 96.7 mt -62.72 -49.59 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.271 -0.893 . . . . 0.0 110.125 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.611 HD22 ' NH2' ' A' ' 62' ' ' ARG . 27.0 t-20 -69.0 -42.24 76.73 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.305 -0.872 . . . . 0.0 110.253 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.488 ' CB ' ' CZ3' ' A' ' 55' ' ' TRP . . . -67.05 -39.18 86.88 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.432 -0.792 . . . . 0.0 110.181 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.603 ' NH1' ' CE2' ' A' ' 32' ' ' TYR . 62.5 ttp180 -64.68 -43.81 92.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 109.837 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -80.95 -10.35 59.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.481 -0.762 . . . . 0.0 110.249 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.611 ' NH2' HD22 ' A' ' 58' ' ' ASN . 44.9 ttm180 -103.65 -26.34 12.82 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.249 -0.907 . . . . 0.0 109.954 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.3 mt -87.19 -48.28 8.17 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.085 -1.009 . . . . 0.0 111.218 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.409 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.2 mp -49.21 -50.82 61.75 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.152 -0.967 . . . . 0.0 111.322 -178.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 32.3 Cg_exo -54.45 -47.09 28.77 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 121.534 1.49 . . . . 0.0 111.902 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.22 -46.59 32.93 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.651 -0.656 . . . . 0.0 110.594 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 19.9 mmt -63.81 -43.31 96.66 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.28 -0.887 . . . . 0.0 110.213 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.579 ' CD2' ' HH ' ' A' ' 29' ' ' TYR . 71.4 mt -64.56 -42.44 95.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.209 -0.932 . . . . 0.0 109.824 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -75.35 -24.64 57.35 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.433 -0.792 . . . . 0.0 109.403 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.1 -45.52 91.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.832 . . . . 0.0 109.694 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -136.18 -39.22 0.68 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.466 -0.771 . . . . 0.0 109.188 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.99 13.76 72.83 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -88.42 162.27 16.59 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.373 -1.075 . . . . 0.0 110.228 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 74' ' ' ASP . 11.4 t70 -134.14 68.47 74.03 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.517 -0.74 . . . . 0.0 109.196 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.437 ' HG2' ' H ' ' A' ' 76' ' ' ASN . 64.3 Cg_endo -79.27 -76.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.904 2.403 . . . . 0.0 112.303 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.437 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 96.2 m-20 -73.71 110.19 7.8 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.485 -0.759 . . . . 0.0 109.886 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.406 ' NE2' ' OD2' ' A' ' 74' ' ' ASP . 5.1 tp-100 -129.92 61.97 1.56 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 79' ' ' THR . 21.6 t80 -85.87 143.34 28.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.529 -0.732 . . . . 0.0 110.08 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.612 ' HG1' ' H ' ' A' ' 80' ' ' ILE . 71.8 p -43.38 -96.25 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.531 -0.731 . . . . 0.0 110.519 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.612 ' H ' ' HG1' ' A' ' 79' ' ' THR . 96.9 mt -101.97 -35.62 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.262 -0.899 . . . . 0.0 108.853 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 t 48.94 81.03 0.06 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.645 0.736 . . . . 0.0 109.601 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -95.88 124.15 39.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.413 -0.804 . . . . 0.0 109.929 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.477 ' NH2' ' OD2' ' A' ' 22' ' ' ASP . 95.9 mtt-85 -67.14 -37.89 84.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.623 -0.673 . . . . 0.0 109.333 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.559 ' C ' ' H ' ' A' ' 86' ' ' LYS . . . 91.06 -67.26 2.38 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.671 -1.371 . . . . 0.0 109.671 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 55.38 4.11 0.09 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.463 -1.022 . . . . 0.0 109.49 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' A' ' 84' ' ' GLY . 38.7 ttpt -83.35 140.01 32.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 110.151 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.439 ' O ' ' OG ' ' A' ' 88' ' ' SER . 96.6 mt -79.35 130.81 35.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.419 -0.8 . . . . 0.0 110.401 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 87' ' ' ILE . 3.3 p 75.58 135.92 0.06 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.775 0.797 . . . . 0.0 110.331 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 . . . . . 0 C--N 1.304 -1.381 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.478 -179.819 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptm . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.4 0.619 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.95 175.13 50.23 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -87.3 133.21 33.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.337 -1.096 . . . . 0.0 109.967 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -66.3 -39.09 89.1 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.383 -0.823 . . . . 0.0 109.813 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -60.66 -44.97 95.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.135 -0.978 . . . . 0.0 110.049 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -167.63 125.84 1.25 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.001 -1.062 . . . . 0.0 109.768 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -78.56 162.32 26.38 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.518 -0.739 . . . . 0.0 110.064 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -134.86 140.34 45.74 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.344 -0.848 . . . . 0.0 110.067 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -165.72 127.51 1.97 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.367 -0.833 . . . . 0.0 109.26 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -61.09 -41.91 97.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.128 -0.982 . . . . 0.0 109.764 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.441 ' CG ' ' H ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.92 -118.24 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.106 -0.996 . . . . 0.0 109.607 -179.626 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' H ' ' CG ' ' A' ' 11' ' ' MET . 24.6 mt -85.38 151.52 56.45 Favored Pre-proline 0 N--CA 1.488 1.425 0 O-C-N 121.276 -0.89 . . . . 0.0 108.896 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -43.57 146.43 1.34 Allowed 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.044 1.83 . . . . 0.0 112.69 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.95 -38.8 89.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.492 -0.755 . . . . 0.0 109.838 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -58.23 -48.17 81.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.248 -0.907 . . . . 0.0 109.838 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -65.45 -40.06 92.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 109.45 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.4 t -66.32 -42.4 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.485 -0.759 . . . . 0.0 109.645 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -56.68 -43.78 80.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.869 . . . . 0.0 109.748 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.55 -44.7 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.144 -0.973 . . . . 0.0 109.453 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.83 -42.24 90.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.365 -0.834 . . . . 0.0 109.96 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -65.72 -41.49 92.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 109.868 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -60.29 -36.13 77.16 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.345 -0.847 . . . . 0.0 109.399 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.529 ' CE2' ' OE2' ' A' ' 37' ' ' GLU . 49.7 t90 -60.51 -45.31 94.29 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.411 -0.806 . . . . 0.0 109.61 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ARG . 6.5 mp -65.3 -45.02 86.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 0.0 110.097 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -64.33 -44.94 89.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 109.415 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.91 -32.11 70.25 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.542 -0.724 . . . . 0.0 109.766 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -134.43 58.33 1.77 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.565 -0.709 . . . . 0.0 109.503 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 24' ' ' LEU . 37.7 ptt-85 -68.05 -41.3 82.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 109.207 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.467 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 79.0 t80 -70.15 -43.45 70.87 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.425 -0.797 . . . . 0.0 109.534 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -91.01 42.46 1.1 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.427 -0.796 . . . . 0.0 108.876 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.497 ' CB ' HH12 ' A' ' 60' ' ' ARG . . . -91.67 78.79 5.48 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.435 -0.791 . . . . 0.0 108.981 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 21.2 p90 -112.95 96.77 39.54 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.407 -0.808 . . . . 0.0 108.82 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -52.51 136.94 57.63 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.11 1.873 . . . . 0.0 112.65 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 p -159.13 163.89 35.72 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.413 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 58.2 mp0 -68.12 -37.03 80.68 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.439 -0.788 . . . . 0.0 109.429 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 37' ' ' GLU . 16.9 pt20 -65.27 -42.12 93.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.244 -0.91 . . . . 0.0 109.638 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.529 ' OE2' ' CE2' ' A' ' 23' ' ' TRP . 47.0 tp10 -69.95 -47.16 63.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.48 -0.762 . . . . 0.0 109.629 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.35 -38.6 91.61 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.477 -0.764 . . . . 0.0 109.513 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.7 82.63 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.303 -0.873 . . . . 0.0 109.331 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.45 -43.56 97.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.297 -0.877 . . . . 0.0 109.29 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.0 -41.11 97.59 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.553 -0.717 . . . . 0.0 109.455 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 m -60.72 -37.04 80.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.381 -0.824 . . . . 0.0 109.674 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -65.04 -40.41 94.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.112 -0.993 . . . . 0.0 109.691 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -63.94 -40.58 96.78 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.406 -0.809 . . . . 0.0 110.081 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.6 p -100.09 169.9 8.85 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.351 -0.843 . . . . 0.0 109.781 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -99.54 31.7 3.07 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.8 mt -108.86 153.77 23.05 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.552 -0.717 . . . . 0.0 109.321 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.6 p -76.45 167.0 22.62 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.755 0.788 . . . . 0.0 111.214 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -62.41 -40.42 96.48 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.378 0.608 . . . . 0.0 109.788 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.35 -42.51 91.69 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.21 -0.931 . . . . 0.0 109.569 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -65.2 -41.99 93.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.17 -0.956 . . . . 0.0 109.863 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.35 -44.33 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 0.0 109.824 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.0 t -59.37 -43.04 92.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.162 -0.962 . . . . 0.0 109.843 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -64.03 -40.59 96.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.272 -0.893 . . . . 0.0 109.642 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -62.29 -41.59 98.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 0.0 109.972 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -62.82 -43.06 99.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.164 -0.96 . . . . 0.0 109.876 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.413 HD13 HG22 ' A' ' 57' ' ' ILE . 96.8 mt -62.0 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.181 -0.949 . . . . 0.0 110.096 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -77.89 -49.95 13.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.03 -1.044 . . . . 0.0 110.341 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.51 86.76 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.496 -0.753 . . . . 0.0 110.231 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.497 HH12 ' CB ' ' A' ' 31' ' ' ALA . 64.5 ttm-85 -63.16 -42.45 99.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.157 -0.965 . . . . 0.0 109.748 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 tpt85 -65.42 -16.67 63.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.447 -0.783 . . . . 0.0 110.417 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -114.1 -6.63 13.08 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.301 -0.875 . . . . 0.0 110.182 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.9 mt -113.75 -61.98 1.66 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.158 -0.964 . . . . 0.0 111.013 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -43.68 -53.99 11.3 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.359 -0.838 . . . . 0.0 110.746 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.28 -46.53 25.67 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 121.417 1.411 . . . . 0.0 111.804 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.82 -46.48 81.82 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.518 -0.739 . . . . 0.0 110.083 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 84.8 mmm -65.13 -44.05 89.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.448 -0.783 . . . . 0.0 110.111 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.0 mt -65.48 -41.39 93.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.185 -0.947 . . . . 0.0 110.108 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -65.89 -44.19 86.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.108 -0.995 . . . . 0.0 109.938 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -70.76 -49.79 42.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.147 -0.97 . . . . 0.0 109.721 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 73' ' ' LYS . 99.1 m-20 -66.04 -42.9 88.95 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.362 -0.836 . . . . 0.0 109.486 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.32 59.01 8.91 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 71' ' ' ASP . 24.2 pttm -129.23 48.76 2.32 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.51 -0.994 . . . . 0.0 109.154 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 61.35 151.71 0.1 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.684 -0.635 . . . . 0.0 109.715 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.51 142.6 78.79 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.327 2.018 . . . . 0.0 112.01 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' A' ' 77' ' ' GLN . 64.3 t30 -93.68 -178.48 4.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.372 -0.83 . . . . 0.0 109.99 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.502 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 58.9 tt0 -80.79 108.9 14.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.436 -0.79 . . . . 0.0 109.886 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -108.84 8.12 26.46 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.2 m -63.1 129.03 38.56 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.308 -0.87 . . . . 0.0 109.819 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.7 pt -92.56 133.01 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.305 -0.872 . . . . 0.0 109.929 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 t -84.63 -5.77 59.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.377 -0.827 . . . . 0.0 109.554 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -96.73 -170.93 2.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.299 -0.876 . . . . 0.0 110.395 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -78.12 140.03 39.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.418 -0.801 . . . . 0.0 110.321 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 85' ' ' ALA . . . -89.24 139.43 15.21 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . 49.73 176.37 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.749 -0.853 . . . . 0.0 110.783 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -95.41 -8.45 35.52 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.443 ' O ' ' O ' ' A' ' 88' ' ' SER . 96.6 mt -88.99 -77.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.318 -0.864 . . . . 0.0 109.736 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 87' ' ' ILE . 16.1 m 50.12 101.58 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.48 -0.763 . . . . 0.0 109.819 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.5 ' OE1' ' N ' ' A' ' 89' ' ' GLU . 57.2 mp0 . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.61 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.62 157.9 51.67 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -65.43 -43.48 90.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.499 -1.001 . . . . 0.0 109.865 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -134.82 128.94 33.72 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.344 -0.847 . . . . 0.0 109.874 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -66.54 -45.12 80.46 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.407 -0.808 . . . . 0.0 109.908 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -102.57 -97.3 0.29 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.343 -0.848 . . . . 0.0 109.504 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -168.64 127.68 1.12 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.191 -0.943 . . . . 0.0 109.683 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.7 t60 40.85 90.41 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.645 -0.66 . . . . 0.0 110.196 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -71.06 149.17 46.81 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.578 -0.701 . . . . 0.0 109.533 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -126.9 124.25 39.1 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.583 -0.698 . . . . 0.0 109.316 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.2 ttt -162.34 125.06 2.87 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.184 -0.948 . . . . 0.0 108.827 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt -82.0 150.18 64.56 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.103 -0.998 . . . . 0.0 109.785 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -67.06 165.65 25.67 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.608 2.205 . . . . 0.0 112.744 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -59.55 -38.9 82.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.744 -0.598 . . . . 0.0 109.581 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -58.07 -54.52 45.97 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 109.466 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -62.89 -41.54 99.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.8 t -63.93 -43.29 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.438 -0.788 . . . . 0.0 109.938 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -57.19 -46.38 82.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.088 -1.007 . . . . 0.0 109.82 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.67 -45.32 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.988 . . . . 0.0 109.773 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.45 -40.45 93.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.377 -0.827 . . . . 0.0 109.457 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.39 -42.98 97.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.366 -0.834 . . . . 0.0 109.559 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -59.06 -48.15 82.64 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.246 -0.909 . . . . 0.0 109.252 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -64.59 -41.33 96.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.359 -0.838 . . . . 0.0 109.657 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.09 -43.28 99.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.2 -0.937 . . . . 0.0 109.739 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.22 -44.83 96.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.885 . . . . 0.0 109.539 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.44 -37.82 83.59 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.299 -0.875 . . . . 0.0 109.812 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -100.02 24.23 8.83 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.355 -0.841 . . . . 0.0 109.155 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.658 ' NH2' ' HH ' ' A' ' 29' ' ' TYR . 62.3 ttp180 -61.07 -45.96 92.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.337 -0.852 . . . . 0.0 109.393 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.658 ' HH ' ' NH2' ' A' ' 28' ' ' ARG . 85.9 m-85 -78.37 -34.2 48.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.47 -0.769 . . . . 0.0 109.687 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 31' ' ' ALA . 11.8 m120 -94.59 20.2 8.82 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.426 -0.796 . . . . 0.0 109.243 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . -37.31 114.84 0.35 Allowed 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 121.346 0.594 . . . . 0.0 110.506 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.552 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 1.1 p90 -160.63 46.7 0.21 Allowed Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.353 -0.842 . . . . 0.0 109.599 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 32' ' ' TYR . 21.4 Cg_endo -60.27 82.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.266 1.978 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.407 ' OG ' ' OE1' ' A' ' 37' ' ' GLU . 4.8 p -89.64 -170.88 2.99 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.681 0.753 . . . . 0.0 110.451 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.52 ' OE2' ' NH1' ' A' ' 83' ' ' ARG . 80.1 mm-40 -58.39 -42.84 87.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.721 -0.612 . . . . 0.0 109.897 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -69.78 -41.63 74.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.157 -0.965 . . . . 0.0 110.086 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' OE1' ' OG ' ' A' ' 34' ' ' SER . 3.2 mp0 -65.51 -43.58 89.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.312 -0.867 . . . . 0.0 109.775 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.591 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 86.3 mttt -63.1 -40.74 98.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.289 -0.882 . . . . 0.0 109.726 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.3 97.19 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.042 -1.036 . . . . 0.0 109.605 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 tt -63.0 -48.54 78.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.261 -0.899 . . . . 0.0 109.349 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.2 -41.28 94.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.667 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' HIS . 67.4 m -59.97 -41.96 93.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.325 -0.859 . . . . 0.0 109.645 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -65.04 -39.37 93.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 0.0 109.694 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.01 -39.82 94.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.8 p -93.32 -6.47 47.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.279 -0.888 . . . . 0.0 108.787 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 42' ' ' SER . 54.5 t-80 59.47 20.97 9.38 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.3 mt -94.73 164.39 12.96 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.292 -0.88 . . . . 0.0 109.744 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -75.86 154.63 35.97 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.47 -0.769 . . . . 0.0 110.157 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 m -62.09 -41.03 97.77 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.425 ' CD1' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -60.63 -42.96 97.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.388 -0.82 . . . . 0.0 108.982 -178.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.04 -40.94 99.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.83 -43.92 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 0.0 109.63 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.591 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 1.1 t -55.99 -52.28 64.74 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.274 -0.891 . . . . 0.0 109.959 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' ND2' ' CD1' ' A' ' 50' ' ' LEU . 13.3 m-80 -63.44 -41.53 98.66 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.848 . . . . 0.0 109.473 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.65 -41.83 95.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.94 -43.22 98.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.888 . . . . 0.0 110.025 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.31 -49.99 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.166 -0.959 . . . . 0.0 110.311 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.629 ' ND2' ' N ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -77.62 -40.92 40.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.979 -1.076 . . . . 0.0 109.795 -179.306 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.629 ' N ' ' ND2' ' A' ' 58' ' ' ASN . . . -59.26 -48.16 82.67 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.33 -0.857 . . . . 0.0 109.495 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -62.7 -44.62 95.77 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.275 -0.891 . . . . 0.0 109.806 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -68.19 -10.17 52.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 0.0 109.973 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -108.17 -26.63 10.5 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.435 -0.79 . . . . 0.0 110.223 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' LEU . 94.8 mt -96.72 -62.76 1.22 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.114 -0.991 . . . . 0.0 111.349 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -39.78 -59.51 1.69 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.626 -0.671 . . . . 0.0 111.517 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -37.72 -51.78 1.74 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.823 1.682 . . . . 0.0 112.562 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -63.59 -49.17 74.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.835 . . . . 0.0 110.228 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 90.6 mmm -65.11 -38.89 92.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.934 . . . . 0.0 109.911 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.89 -42.87 99.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.425 -0.797 . . . . 0.0 109.67 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -66.32 -38.49 87.8 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 109.378 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -63.82 -47.88 79.03 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.361 -0.837 . . . . 0.0 110.198 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -96.16 10.94 36.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.179 -0.95 . . . . 0.0 109.337 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.43 141.87 4.02 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.76 136.01 57.86 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.375 -1.074 . . . . 0.0 110.192 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -172.55 68.63 0.4 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.605 -0.684 . . . . 0.0 109.197 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.41 -42.7 63.48 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.435 2.09 . . . . 0.0 111.39 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.575 ' O ' ' N ' ' A' ' 78' ' ' PHE . 13.0 m120 53.5 33.66 16.62 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' PHE . 12.5 pt20 37.73 23.39 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 CA-C-O 120.964 0.412 . . . . 0.0 110.545 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 76' ' ' ASN . 89.2 m-85 36.04 -111.05 0.07 Allowed 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.311 0.577 . . . . 0.0 110.657 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 42.2 p -148.33 -93.2 0.08 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.3 -0.875 . . . . 0.0 109.298 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.0 pt -82.28 147.09 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.456 -0.777 . . . . 0.0 110.385 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 p -65.19 150.27 48.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.443 -0.786 . . . . 0.0 109.737 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.2 165.37 14.5 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.426 -0.796 . . . . 0.0 109.775 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.52 ' NH1' ' OE2' ' A' ' 35' ' ' GLU . 84.3 mtp180 -87.88 6.6 34.73 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.57 160.22 14.6 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 110.185 -1.166 . . . . 0.0 110.185 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.18 139.59 58.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.685 -0.891 . . . . 0.0 110.227 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -96.27 4.54 52.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.346 -0.846 . . . . 0.0 109.007 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 25.2 mm -69.26 -76.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.459 -0.776 . . . . 0.0 109.481 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.2 m 43.0 30.23 0.24 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.538 -0.726 . . . . 0.0 109.862 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.015 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.431 ' H3 ' ' H ' ' A' ' 2' ' ' GLY . 58.0 ttp . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.431 ' H ' ' H3 ' ' A' ' 1' ' ' MET . . . -170.63 -171.32 35.86 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -80.38 -10.66 59.75 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.525 -0.985 . . . . 0.0 109.54 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -70.77 128.92 37.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.415 -0.803 . . . . 0.0 110.022 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -135.58 138.38 42.91 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.321 -0.862 . . . . 0.0 109.568 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -83.73 133.03 34.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.509 -0.744 . . . . 0.0 109.917 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.475 ' H ' ' CD2' ' A' ' 7' ' ' HIS . 10.1 p80 -88.22 -172.45 3.8 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.327 -0.858 . . . . 0.0 110.247 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -149.19 150.24 32.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.322 -0.861 . . . . 0.0 109.869 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -74.0 152.09 40.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.458 -0.776 . . . . 0.0 110.171 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -75.98 131.03 39.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.802 . . . . 0.0 110.148 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.5 ptm -49.79 178.38 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.606 0.717 . . . . 0.0 110.651 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.64 159.31 85.67 Favored Pre-proline 0 N--CA 1.488 1.457 0 O-C-N 121.603 -0.685 . . . . 0.0 110.233 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.76 151.44 19.61 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 C-N-CA 122.582 2.188 . . . . 0.0 113.299 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.21 -37.3 79.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.787 -0.57 . . . . 0.0 109.537 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.82 -51.21 70.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.297 -0.877 . . . . 0.0 109.772 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.8 m -63.23 -42.83 99.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.87 . . . . 0.0 109.7 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.5 t -64.76 -42.33 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.629 -0.669 . . . . 0.0 109.616 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -55.65 -47.2 77.07 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.917 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.1 -44.81 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.234 -0.916 . . . . 0.0 109.863 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.57 -42.56 95.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.421 -0.799 . . . . 0.0 109.94 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -66.69 -41.59 87.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.369 -0.832 . . . . 0.0 109.435 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.12 -47.48 85.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 0.0 109.745 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.62 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 70.6 t-105 -64.03 -47.62 79.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.41 -0.806 . . . . 0.0 109.815 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.62 -40.38 95.38 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.347 -0.846 . . . . 0.0 109.72 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.471 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 86.9 t80 -58.91 -43.77 91.15 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.429 -0.794 . . . . 0.0 109.887 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.38 -37.14 82.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.191 -0.943 . . . . 0.0 109.683 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.62 ' CE1' ' CE2' ' A' ' 23' ' ' TRP . 46.6 m80 -81.04 -69.38 0.61 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.325 -0.859 . . . . 0.0 109.985 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' NE ' ' O ' ' A' ' 25' ' ' TYR . 83.5 mtm180 54.97 -76.61 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.596 -0.69 . . . . 0.0 110.627 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.578 ' N ' ' O ' ' A' ' 27' ' ' HIS . 98.2 m-85 -59.86 -43.93 94.4 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.195 -0.941 . . . . 0.0 110.081 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ALA . 98.8 m-20 -83.46 -106.09 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 0.0 110.083 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . 41.39 45.78 2.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.687 -0.633 . . . . 0.0 109.447 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -90.7 146.33 33.9 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.461 -0.775 . . . . 0.0 109.417 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -37.21 108.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.659 2.239 . . . . 0.0 112.822 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.5 p -151.73 140.15 20.52 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 109.635 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.12 -34.98 75.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.458 -0.776 . . . . 0.0 109.442 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -62.29 -42.38 99.3 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.477 -0.764 . . . . 0.0 109.657 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.22 -44.25 79.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.357 -0.839 . . . . 0.0 109.731 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.584 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 54.7 mtpt -64.56 -40.54 95.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.476 -0.765 . . . . 0.0 109.555 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.59 95.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.432 -0.792 . . . . 0.0 109.904 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.46 -55.85 20.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 109.588 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 10.0 mp -64.08 -41.5 97.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.428 -0.795 . . . . 0.0 110.138 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -60.31 -43.62 96.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.223 -0.923 . . . . 0.0 109.44 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -75.82 -34.31 60.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.282 -0.886 . . . . 0.0 109.458 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.02 -40.31 94.67 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.396 -0.815 . . . . 0.0 109.491 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.6 p -98.96 165.41 11.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.349 -0.844 . . . . 0.0 109.408 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 46' ' ' HIS . 86.4 t60 -89.96 26.19 1.9 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.625 -0.672 . . . . 0.0 109.406 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.0 mt -109.74 149.68 29.43 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.328 -0.857 . . . . 0.0 109.8 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.0 m -73.34 161.17 30.78 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.705 0.764 . . . . 0.0 110.388 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.494 ' O ' ' SG ' ' A' ' 53' ' ' CYS . 10.7 m -61.72 -40.8 96.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.632 -0.668 . . . . 0.0 109.67 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.02 -45.39 90.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.167 -0.958 . . . . 0.0 109.495 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.19 -41.88 99.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 109.489 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.82 -41.86 91.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.355 -0.841 . . . . 0.0 109.528 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.584 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 75.2 m -53.46 -50.54 65.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 110.055 -179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASN . 6.4 m120 -63.62 -42.77 98.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.288 -0.882 . . . . 0.0 109.484 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.466 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 84.2 t90 -63.86 -40.53 96.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.55 -0.719 . . . . 0.0 109.726 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -62.13 -42.81 99.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.477 -0.764 . . . . 0.0 110.191 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 57' ' ' ILE . 94.7 mt -60.47 -48.02 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.334 -0.854 . . . . 0.0 110.274 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.643 HD21 ' N ' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -78.2 -41.17 35.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.186 -0.947 . . . . 0.0 109.801 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.643 ' N ' HD21 ' A' ' 58' ' ' ASN . . . -60.53 -48.21 82.77 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.442 -0.787 . . . . 0.0 110.124 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -65.54 -42.51 91.85 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.354 -0.841 . . . . 0.0 109.517 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.519 ' CZ ' ' HG1' ' A' ' 79' ' ' THR . 84.2 mtp180 -73.86 -4.59 35.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.554 -0.717 . . . . 0.0 109.951 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -118.05 -18.58 9.38 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.453 -0.78 . . . . 0.0 109.776 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.9 mt -102.31 -59.12 1.76 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.107 -0.996 . . . . 0.0 111.332 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mp -47.71 -51.7 43.77 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.284 -0.885 . . . . 0.0 111.171 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -51.42 -45.39 37.74 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 121.42 1.413 . . . . 0.0 112.332 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.73 -51.71 57.03 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.301 -0.875 . . . . 0.0 110.508 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 73.9 mtm -67.16 -40.42 86.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.323 -0.861 . . . . 0.0 110.219 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.36 -43.1 98.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 0.0 110.062 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -64.11 -43.75 94.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.271 -0.893 . . . . 0.0 109.663 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -66.96 -42.82 84.54 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.322 -0.861 . . . . 0.0 110.007 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -91.08 8.99 32.75 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.238 -0.914 . . . . 0.0 109.468 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.17 107.98 0.87 Allowed Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -81.2 179.31 7.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.391 -1.064 . . . . 0.0 110.292 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.593 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 0.0 OUTLIER 179.02 -43.74 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.692 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 74' ' ' ASP . 21.8 Cg_exo -61.91 153.71 66.53 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.595 2.197 . . . . 0.0 112.668 -178.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLN . 44.3 p30 -63.8 -10.85 22.33 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' ASN . 36.8 mt-30 41.82 27.9 0.08 Allowed 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.489 0.662 . . . . 0.0 110.169 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' ASN . 83.5 m-85 44.78 -108.06 0.13 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.603 -0.686 . . . . 0.0 110.315 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.519 ' HG1' ' CZ ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -100.71 123.0 44.29 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.232 -0.917 . . . . 0.0 109.476 -179.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.5 tt -94.38 130.28 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.476 -0.765 . . . . 0.0 110.195 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 t 170.95 115.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.418 -0.801 . . . . 0.0 108.951 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -89.49 128.44 35.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.908 . . . . 0.0 109.449 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -88.79 134.18 34.01 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.333 -0.854 . . . . 0.0 110.376 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 54.42 -94.91 0.02 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 59.17 29.68 19.29 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.566 -0.961 . . . . 0.0 109.042 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -65.79 134.53 53.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.44 -0.787 . . . . 0.0 110.247 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.5 mt -85.99 -77.56 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.5 -0.75 . . . . 0.0 109.588 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 p -163.65 126.38 2.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.323 -0.86 . . . . 0.0 109.547 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.169 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mmm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.683 0.754 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.67 150.69 50.91 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 4' ' ' HIS . 43.2 p-80 -153.93 150.23 28.11 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.661 -0.905 . . . . 0.0 110.085 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 3' ' ' HIS . 95.6 m-70 41.85 95.38 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.87 0.843 . . . . 0.0 110.363 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -77.01 148.1 36.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.641 -0.662 . . . . 0.0 110.292 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -121.78 160.73 24.0 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.69 0.757 . . . . 0.0 110.39 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 60.93 -172.51 0.14 Allowed 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.652 0.739 . . . . 0.0 110.931 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -98.62 101.28 12.66 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.792 0.806 . . . . 0.0 109.427 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 11' ' ' MET . 48.4 t -76.68 151.63 36.06 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.776 -0.578 . . . . 0.0 109.901 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.9 t60 58.3 -72.1 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.661 0.743 . . . . 0.0 110.034 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.589 ' N ' ' O ' ' A' ' 9' ' ' SER . 50.7 ttp -54.79 136.85 45.97 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 122.047 0.927 . . . . 0.0 110.674 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -86.09 158.01 56.13 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 121.681 -0.637 . . . . 0.0 109.385 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -48.69 151.63 5.01 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.146 1.897 . . . . 0.0 112.47 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -61.98 -40.51 95.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.609 -0.682 . . . . 0.0 109.636 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.07 -51.67 62.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.498 -0.751 . . . . 0.0 110.076 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -63.19 -42.17 99.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.449 -0.782 . . . . 0.0 110.11 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.04 -44.59 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.507 -0.746 . . . . 0.0 109.908 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -55.61 -44.63 77.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.46 -0.775 . . . . 0.0 109.964 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.408 HD13 HG22 ' A' ' 19' ' ' ILE . 97.2 mt -65.58 -43.5 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.266 -0.896 . . . . 0.0 109.476 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.08 -41.29 97.37 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.446 -0.784 . . . . 0.0 109.935 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -62.72 -40.04 95.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.522 -0.736 . . . . 0.0 109.726 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.5 -41.72 98.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.359 -0.838 . . . . 0.0 109.697 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.625 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.8 t-105 -66.98 -41.25 87.12 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.643 0.735 . . . . 0.0 109.57 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -63.34 -43.2 98.4 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.618 0.723 . . . . 0.0 109.955 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.16 -42.62 99.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.447 -0.783 . . . . 0.0 109.878 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.14 -39.59 78.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.493 -0.754 . . . . 0.0 110.059 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.666 ' HD1' HD21 ' A' ' 30' ' ' ASN . 95.7 m-70 -95.2 27.96 3.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.362 -0.836 . . . . 0.0 109.121 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.513 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 17.1 ptm180 -67.78 -37.71 82.41 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.581 0.705 . . . . 0.0 109.637 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.64 -9.96 56.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.389 -0.819 . . . . 0.0 109.398 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.666 HD21 ' HD1' ' A' ' 27' ' ' HIS . 96.4 m-20 -93.96 -58.89 2.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.45 -0.781 . . . . 0.0 109.162 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 40.99 96.45 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.784 0.802 . . . . 0.0 110.378 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.526 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 11.8 p90 -159.27 70.82 3.43 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.548 -0.72 . . . . 0.0 109.554 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.94 135.43 68.38 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.891 2.394 . . . . 0.0 112.516 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.485 ' C ' ' NH2' ' A' ' 83' ' ' ARG . 50.6 m -163.03 173.75 13.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.537 -0.727 . . . . 0.0 110.179 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -63.22 -42.11 99.21 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.55 0.691 . . . . 0.0 109.432 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -68.27 -41.46 81.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.544 -0.723 . . . . 0.0 109.47 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -67.49 -49.19 64.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.382 -0.824 . . . . 0.0 109.815 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -65.85 -40.34 91.63 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.395 -0.816 . . . . 0.0 109.483 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.24 93.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.519 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.33 -46.55 86.09 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.925 0.869 . . . . 0.0 109.226 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.64 -40.21 95.06 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.446 -0.784 . . . . 0.0 109.557 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.1 p -62.11 -38.82 90.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.564 -0.71 . . . . 0.0 109.56 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -66.64 -39.55 88.31 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.648 0.737 . . . . 0.0 109.831 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.32 -43.89 93.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.355 -0.841 . . . . 0.0 110.053 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.9 p -99.51 169.23 9.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 110.136 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -95.93 31.44 2.12 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.1 mt -110.96 154.07 24.63 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.722 0.772 . . . . 0.0 109.846 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.488 ' HG ' ' H ' ' A' ' 51' ' ' GLN . 12.8 p -75.81 166.37 23.63 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.866 0.841 . . . . 0.0 110.411 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.9 m -62.78 -42.94 99.92 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.746 0.784 . . . . 0.0 109.676 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.73 -42.06 98.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.567 -0.708 . . . . 0.0 110.087 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.488 ' H ' ' HG ' ' A' ' 48' ' ' SER . 25.5 mm100 -64.15 -45.92 86.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.389 -0.819 . . . . 0.0 109.882 -179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.11 -43.11 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-O 121.534 0.683 . . . . 0.0 110.01 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 t -60.81 -44.75 96.46 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.367 -0.833 . . . . 0.0 110.515 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -63.98 -43.3 96.15 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.35 -0.844 . . . . 0.0 109.384 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -68.49 -38.36 80.92 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.801 0.81 . . . . 0.0 109.109 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -59.71 -44.45 93.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.595 -0.69 . . . . 0.0 109.883 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.29 -45.77 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.399 -0.813 . . . . 0.0 109.684 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -70.32 -46.34 64.4 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.345 -0.847 . . . . 0.0 109.907 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.51 87.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.51 -0.744 . . . . 0.0 110.036 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' O ' ' CB ' ' A' ' 64' ' ' LEU . 73.8 ttp85 -64.7 -43.86 92.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.497 -0.752 . . . . 0.0 109.847 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -70.22 -12.65 61.74 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.195 -0.94 . . . . 0.0 110.281 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -108.29 -23.57 11.86 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.37 -0.831 . . . . 0.0 109.866 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.6 mt -105.73 -26.62 11.72 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.167 -0.958 . . . . 0.0 110.647 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 6.4 tp -72.64 -35.21 2.94 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.207 -0.933 . . . . 0.0 111.482 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 21.7 Cg_exo -61.76 -55.39 1.13 Allowed 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.767 1.645 . . . . 0.0 111.931 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -65.53 -39.05 91.33 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.6 0.714 . . . . 0.0 109.812 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 36.7 ttm -61.81 -46.82 87.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.416 -0.802 . . . . 0.0 110.191 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -75.81 -22.53 56.24 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.341 -0.849 . . . . 0.0 109.081 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -66.25 -43.03 87.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.506 -0.746 . . . . 0.0 108.998 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -68.63 -48.76 63.24 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.646 0.736 . . . . 0.0 109.42 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.513 ' OD2' ' NH2' ' A' ' 28' ' ' ARG . 95.3 m-20 -66.47 -40.49 89.38 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.626 0.727 . . . . 0.0 109.488 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.77 -106.46 0.27 Allowed Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -171.47 109.8 0.29 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.545 -0.974 . . . . 0.0 109.877 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.519 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 38.0 m-20 -162.81 49.62 0.25 Allowed Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 74' ' ' ASP . 32.9 Cg_endo -63.68 142.53 83.86 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.793 2.329 . . . . 0.0 112.45 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -86.83 116.65 25.06 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.766 0.793 . . . . 0.0 109.94 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -73.92 -110.13 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.451 0.643 . . . . 0.0 109.89 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' A' ' 79' ' ' THR . 75.9 m-85 -104.72 5.68 33.59 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 80' ' ' ILE . 81.8 p -47.59 -96.3 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.482 -0.761 . . . . 0.0 109.65 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.467 ' N ' ' OG1' ' A' ' 79' ' ' THR . 4.0 mp -103.6 -17.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.436 -0.79 . . . . 0.0 109.099 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.0 p -75.23 164.81 26.08 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.755 0.788 . . . . 0.0 110.94 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 48.21 86.39 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 121.874 0.845 . . . . 0.0 110.055 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.485 ' NH2' ' C ' ' A' ' 34' ' ' SER . 39.5 ttm180 -61.97 -43.77 98.15 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.671 0.748 . . . . 0.0 109.28 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.18 157.33 3.29 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.97 69.38 0.76 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.618 -0.931 . . . . 0.0 109.504 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -154.44 111.14 3.31 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.0 pt -90.83 116.88 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 CA-C-O 121.802 0.811 . . . . 0.0 109.62 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.3 m -99.5 -9.94 22.72 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' A' ' 89' ' ' GLU . 56.7 mp0 . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.629 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.382 0.611 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.96 28.95 67.71 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -58.99 -42.48 90.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.124 -1.221 . . . . 0.0 109.954 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -104.29 128.95 52.14 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.352 -0.843 . . . . 0.0 109.931 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.48 ' C ' ' H ' ' A' ' 7' ' ' HIS . 25.8 t60 -85.36 7.5 22.22 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' A' ' 6' ' ' HIS . 86.8 t60 56.5 5.54 0.21 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.716 -0.615 . . . . 0.0 109.735 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.48 ' H ' ' C ' ' A' ' 5' ' ' HIS . 25.7 t-80 -86.26 125.58 33.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.044 -1.035 . . . . 0.0 109.813 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -148.06 25.67 1.01 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 t -82.37 175.92 9.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.565 -0.709 . . . . 0.0 110.379 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 58.07 -174.18 0.08 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.836 0.827 . . . . 0.0 111.179 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 97.4 mmm -75.69 154.26 36.6 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.836 0.827 . . . . 0.0 110.879 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.3 mt -52.89 151.9 7.87 Favored Pre-proline 0 C--N 1.305 -1.343 0 O-C-N 121.541 -0.724 . . . . 0.0 109.687 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -65.67 160.84 41.5 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.458 2.105 . . . . 0.0 112.514 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.05 -35.58 75.44 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.343 -0.848 . . . . 0.0 109.454 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -62.27 -55.56 27.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 109.777 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -64.12 -41.98 97.04 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 109.629 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.5 -42.84 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 109.13 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -54.79 -43.34 72.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.247 -0.908 . . . . 0.0 109.478 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.42 HD13 HG22 ' A' ' 19' ' ' ILE . 96.8 mt -64.04 -46.29 94.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.09 -1.006 . . . . 0.0 109.49 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.54 -41.89 88.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.306 -0.871 . . . . 0.0 110.045 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -63.72 -40.99 98.12 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.437 -0.79 . . . . 0.0 109.526 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.97 -48.19 82.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.811 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -63.84 -45.83 87.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.143 -0.973 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.68 -41.1 98.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 0.0 109.261 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.603 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 61.1 t80 -59.52 -45.01 92.97 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.377 -0.827 . . . . 0.0 109.55 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.26 -38.29 90.57 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.378 -0.826 . . . . 0.0 109.725 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -121.26 54.8 1.09 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.603 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 19.6 ptp180 -64.55 -40.29 95.31 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.491 -0.756 . . . . 0.0 109.473 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -72.23 -77.79 0.09 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.334 -0.854 . . . . 0.0 110.231 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.51 ' CG ' HH12 ' A' ' 82' ' ' ARG . 46.4 t-20 -76.72 93.53 3.68 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.242 -0.911 . . . . 0.0 109.177 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' TYR . . . -89.12 -75.16 0.45 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.493 -0.755 . . . . 0.0 109.439 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' ALA . 72.7 m-85 39.08 75.26 0.58 Allowed Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.946 -0.471 . . . . 0.0 109.994 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -78.03 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.42 2.08 . . . . 0.0 111.599 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 p -79.94 169.56 17.72 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.38 -0.825 . . . . 0.0 110.749 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.41 -38.95 85.62 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.424 0.63 . . . . 0.0 109.734 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -71.81 -39.88 69.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.931 . . . . 0.0 109.913 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.5 -50.57 70.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.243 -0.911 . . . . 0.0 110.107 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.733 ' HZ3' ' HG ' ' A' ' 53' ' ' CYS . 16.8 ptpt -66.07 -31.19 71.92 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.217 -0.927 . . . . 0.0 109.431 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.49 89.86 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.302 -0.873 . . . . 0.0 109.379 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.88 -46.44 84.91 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 109.939 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.82 -36.57 82.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.286 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 46' ' ' HIS . 40.5 t -59.85 -42.64 94.06 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.368 -0.832 . . . . 0.0 109.392 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.21 -38.31 90.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.235 -0.915 . . . . 0.0 109.246 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -64.77 -40.34 95.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.309 -0.87 . . . . 0.0 109.653 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.2 p -95.49 -5.88 41.91 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.222 -0.924 . . . . 0.0 108.667 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' SER . 86.1 t60 57.02 22.84 7.71 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.691 -0.63 . . . . 0.0 109.687 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.403 ' O ' ' OG ' ' A' ' 42' ' ' SER . 91.5 mt -88.78 167.96 12.86 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.316 -0.865 . . . . 0.0 110.317 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.713 ' HG ' ' H ' ' A' ' 51' ' ' GLN . 15.8 p -76.0 154.4 35.8 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.418 -0.801 . . . . 0.0 110.613 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.9 m -62.89 -44.06 97.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.34 -0.85 . . . . 0.0 109.121 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.52 -42.93 99.84 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.398 -0.814 . . . . 0.0 109.648 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.713 ' H ' ' HG ' ' A' ' 48' ' ' SER . 64.9 tt0 -65.03 -40.96 95.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.404 -0.81 . . . . 0.0 109.847 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.3 -45.81 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.149 -0.969 . . . . 0.0 109.933 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.733 ' HG ' ' HZ3' ' A' ' 38' ' ' LYS . 1.1 t -61.04 -48.63 80.88 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.222 -0.924 . . . . 0.0 110.054 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -63.4 -39.8 95.49 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.301 -0.874 . . . . 0.0 109.689 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -60.62 -40.08 90.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.847 . . . . 0.0 109.745 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.34 -45.69 93.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.168 -0.958 . . . . 0.0 109.793 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.87 -51.56 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.934 -1.104 . . . . 0.0 110.356 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -69.87 -42.12 73.91 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.101 -0.999 . . . . 0.0 110.2 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.24 92.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.261 -0.899 . . . . 0.0 109.778 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -62.57 -45.87 90.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.243 -0.91 . . . . 0.0 109.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -62.99 -18.89 63.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.135 -0.978 . . . . 0.0 110.341 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -109.51 -9.77 14.9 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.457 -0.777 . . . . 0.0 110.186 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 64' ' ' LEU . 90.0 mt -114.09 -63.87 1.39 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.33 -0.856 . . . . 0.0 111.128 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -39.04 -55.04 3.06 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.712 -0.617 . . . . 0.0 111.042 -177.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -52.45 -47.47 26.89 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 120.934 1.089 . . . . 0.0 111.437 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -72.43 -40.32 67.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.576 -0.703 . . . . 0.0 110.206 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.8 -41.98 99.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.483 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.76 -41.69 95.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.228 -0.92 . . . . 0.0 109.621 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -65.31 -42.2 93.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.316 -0.865 . . . . 0.0 109.37 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.0 -48.42 80.41 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.174 -0.954 . . . . 0.0 109.659 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 73' ' ' LYS . 61.6 t0 -175.31 82.47 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.55 -0.719 . . . . 0.0 109.168 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.39 78.78 0.04 OUTLIER Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 ptpm? -96.96 149.17 22.2 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.251 -1.147 . . . . 0.0 110.403 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.53 155.46 83.6 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.434 -0.791 . . . . 0.0 109.77 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.52 139.83 60.43 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 122.945 2.43 . . . . 0.0 112.287 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 78' ' ' PHE . 48.1 t-20 -175.02 -51.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -75.69 22.89 0.13 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.466 -0.771 . . . . 0.0 109.121 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 76' ' ' ASN . 53.8 p90 -68.5 132.02 46.25 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.373 -0.829 . . . . 0.0 110.624 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.0 p -101.11 -17.85 16.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.452 -0.78 . . . . 0.0 109.103 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.424 HD12 HG22 ' A' ' 80' ' ' ILE . 98.3 mt -106.7 119.57 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.462 -0.774 . . . . 0.0 109.921 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.8 t -74.86 137.27 41.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.359 -0.838 . . . . 0.0 110.404 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.51 HH12 ' CG ' ' A' ' 30' ' ' ASN . 17.5 ptm180 -92.62 137.59 32.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.453 -0.779 . . . . 0.0 109.723 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -109.88 54.01 0.68 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.35 -78.17 0.93 Allowed Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.76 142.32 54.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.375 -1.073 . . . . 0.0 110.744 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -92.89 138.2 31.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.485 -0.759 . . . . 0.0 109.98 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.417 ' O ' ' O ' ' A' ' 88' ' ' SER . 7.8 tp -97.59 130.88 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.362 -0.836 . . . . 0.0 110.322 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 87' ' ' ILE . 28.8 m 49.0 102.51 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.802 0.811 . . . . 0.0 110.866 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.075 -0.964 . . . . 0.0 109.965 179.65 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.529 0.681 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.09 150.4 51.06 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -150.99 138.28 19.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -1.15 . . . . 0.0 109.421 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -121.59 -64.23 1.24 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.558 -0.714 . . . . 0.0 109.198 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -175.14 74.11 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.31 -0.869 . . . . 0.0 109.159 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -67.17 -38.53 85.6 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 109.342 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -135.94 -163.9 1.47 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.461 -0.775 . . . . 0.0 109.863 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.402 ' ND1' ' O ' ' A' ' 9' ' ' SER . 63.1 t-80 61.68 137.84 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.743 0.782 . . . . 0.0 110.239 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' ND1' ' A' ' 8' ' ' HIS . 16.5 m -71.87 152.12 42.85 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.43 -0.794 . . . . 0.0 110.406 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.43 -40.06 95.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.554 -0.716 . . . . 0.0 109.829 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 98.5 mmm -69.9 145.86 51.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -0.858 . . . . 0.0 110.398 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt -77.66 160.78 73.9 Favored Pre-proline 0 N--CA 1.487 1.387 0 O-C-N 121.482 -0.761 . . . . 0.0 109.615 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -55.1 146.22 60.19 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.837 1.691 . . . . 0.0 112.39 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -49.67 -33.33 15.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.346 -0.846 . . . . 0.0 109.844 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' OE1' ' NH2' ' A' ' 83' ' ' ARG . 79.5 mm-40 -65.01 -48.37 74.14 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.293 -0.88 . . . . 0.0 109.94 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.7 p -70.24 -32.62 70.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.129 -0.982 . . . . 0.0 109.76 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.79 -44.35 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.104 -0.998 . . . . 0.0 109.175 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.34 -46.04 88.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.199 -0.938 . . . . 0.0 109.367 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.4 HD12 HG22 ' A' ' 19' ' ' ILE . 97.2 mt -64.72 -47.58 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.293 -0.879 . . . . 0.0 109.805 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.2 -42.25 84.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -0.865 . . . . 0.0 110.096 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.525 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 58.8 ttt85 -66.45 -42.2 87.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.352 -0.842 . . . . 0.0 109.687 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.5 -47.07 87.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.355 -0.841 . . . . 0.0 110.114 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -57.78 -43.16 85.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 109.709 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.28 -41.57 99.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.0 109.547 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.525 ' OH ' ' NH2' ' A' ' 21' ' ' ARG . 3.8 m-85 -62.03 -34.09 75.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.515 -0.741 . . . . 0.0 109.462 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.96 -37.43 81.56 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.328 -0.858 . . . . 0.0 110.169 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -125.45 66.37 1.15 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.501 -0.749 . . . . 0.0 109.426 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 30' ' ' ASN . 79.9 mtp85 -73.53 155.87 38.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.444 -0.785 . . . . 0.0 110.414 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.8 t80 67.19 -63.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.859 0 CA-C-O 121.272 0.558 . . . . 0.0 109.815 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' ARG . 53.2 t30 -82.4 98.47 8.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.085 -1.009 . . . . 0.0 109.835 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.35 66.34 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.149 -0.969 . . . . 0.0 108.445 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -76.66 155.59 83.29 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 109.625 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.28 128.87 24.07 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.868 1.712 . . . . 0.0 112.558 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.435 ' OG ' ' OE1' ' A' ' 37' ' ' GLU . 12.5 t -157.62 142.03 16.3 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.266 -0.896 . . . . 0.0 109.714 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.8 -36.31 78.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.565 -0.709 . . . . 0.0 109.582 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.428 ' O ' ' OE1' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -62.82 -47.54 82.99 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.179 -0.951 . . . . 0.0 109.85 -179.416 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.576 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 36.0 mp0 -68.66 -48.07 64.93 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.246 -0.909 . . . . 0.0 109.88 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.16 -40.14 96.69 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.109 -0.995 . . . . 0.0 109.414 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.414 ' C ' ' HG ' ' A' ' 42' ' ' SER . . . -62.66 -36.77 83.94 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.229 -0.919 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.59 -50.84 69.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -0.848 . . . . 0.0 109.65 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.76 -39.46 93.66 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.389 -0.819 . . . . 0.0 109.714 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 39' ' ' ALA . 98.3 p -58.33 -37.78 75.81 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.251 -0.906 . . . . 0.0 109.395 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -68.53 -40.85 80.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.35 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -66.27 -46.16 77.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.375 -0.828 . . . . 0.0 109.804 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.5 p -91.25 168.82 11.32 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.316 -0.865 . . . . 0.0 109.216 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -99.27 12.33 36.54 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -87.21 155.67 19.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 0.0 110.085 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.551 ' HG ' ' H ' ' A' ' 51' ' ' GLN . 92.4 p -75.73 160.79 29.66 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.823 0.82 . . . . 0.0 110.522 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 m -63.4 -42.9 98.79 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.0 109.363 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.6 tp -61.44 -44.44 97.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.306 -0.871 . . . . 0.0 109.492 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.551 ' H ' ' HG ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -66.1 -41.9 90.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.416 -0.803 . . . . 0.0 109.45 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.58 -43.04 94.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.638 -0.664 . . . . 0.0 109.354 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -56.87 -44.03 81.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.327 -0.858 . . . . 0.0 109.722 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -63.81 -43.92 94.83 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.319 -0.863 . . . . 0.0 109.823 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -70.37 -38.43 74.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 0.0 109.801 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -59.85 -46.41 89.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.869 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.77 -45.58 94.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.125 -0.985 . . . . 0.0 109.757 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -67.81 -40.37 83.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.352 -0.842 . . . . 0.0 109.862 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.24 86.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.426 -0.796 . . . . 0.0 110.365 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -62.71 -44.85 95.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.176 -0.953 . . . . 0.0 110.274 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -67.82 -17.1 64.4 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.223 -0.923 . . . . 0.0 110.171 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 tpt85 -104.35 -21.94 13.42 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.442 -0.786 . . . . 0.0 110.092 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' LEU . 82.9 mt -95.77 -66.12 0.93 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.19 -0.944 . . . . 0.0 111.019 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 6.1 mp -36.58 -64.27 0.39 Allowed Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 121.759 -0.588 . . . . 0.0 111.27 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 16.1 Cg_endo -56.46 -47.79 22.24 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 121.893 1.729 . . . . 0.0 112.32 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.491 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 80.3 m-20 -64.86 -47.1 79.13 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.529 -0.732 . . . . 0.0 110.456 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.487 ' CE ' HH22 ' A' ' 21' ' ' ARG . 15.9 mmt -68.02 -41.98 81.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.059 -1.026 . . . . 0.0 110.09 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.8 mt -63.86 -43.32 96.47 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 109.875 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.491 ' NH2' ' OD1' ' A' ' 66' ' ' ASP . 89.8 mtm180 -71.1 -29.54 65.41 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.382 -0.824 . . . . 0.0 109.223 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -47.59 83.38 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.44 -0.787 . . . . 0.0 110.151 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -171.67 44.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.188 -0.945 . . . . 0.0 109.326 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 42.28 67.88 0.81 Allowed Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -64.03 133.87 53.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.129 -1.218 . . . . 0.0 110.321 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.56 156.48 36.36 Favored Pre-proline 0 N--CA 1.495 1.807 0 O-C-N 121.623 -0.673 . . . . 0.0 109.504 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.56 91.19 0.13 Allowed 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 123.047 2.498 . . . . 0.0 112.112 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -72.62 139.98 47.72 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 121.875 0.845 . . . . 0.0 110.644 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -55.92 -166.23 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.819 0.819 . . . . 0.0 110.774 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 80' ' ' ILE . 95.9 m-85 -67.8 -79.53 0.05 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.598 -0.689 . . . . 0.0 109.714 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.9 m 59.29 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.485 -0.76 . . . . 0.0 110.109 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 78' ' ' PHE . 28.2 pt -87.81 132.53 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 0.0 110.544 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 83' ' ' ARG . 4.7 p -98.98 126.0 44.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.448 -0.782 . . . . 0.0 109.327 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 38.91 -89.99 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.968 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 81' ' ' SER . 63.6 ttm-85 -73.07 -78.97 0.08 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.328 -0.857 . . . . 0.0 110.097 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.53 37.43 27.25 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.34 139.2 49.25 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.3 -1.117 . . . . 0.0 110.587 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.27 142.84 29.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.401 -0.812 . . . . 0.0 110.543 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 18.9 tt -151.99 126.97 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.367 -0.833 . . . . 0.0 109.588 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.3 m -73.41 150.26 41.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.476 -0.765 . . . . 0.0 110.664 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.018 -0.992 . . . . 0.0 109.89 179.694 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptp . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.601 0.715 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.97 164.47 49.76 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -136.07 145.99 46.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.451 -1.029 . . . . 0.0 109.549 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 49.1 p-80 -153.73 -143.14 0.12 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.342 -0.849 . . . . 0.0 109.661 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 4' ' ' HIS . 57.2 p-80 42.18 54.82 4.09 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.55 0.69 . . . . 0.0 109.836 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.02 97.73 9.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.426 -0.796 . . . . 0.0 109.693 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 8' ' ' HIS . 55.7 p-80 -67.7 -38.55 83.8 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.561 ' CG ' ' N ' ' A' ' 9' ' ' SER . 85.2 t60 59.26 169.32 0.07 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.765 0.793 . . . . 0.0 111.249 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.561 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 12.0 m -67.78 145.95 54.2 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.648 0.737 . . . . 0.0 110.433 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 11' ' ' MET . 83.7 t60 -81.43 155.1 26.04 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.887 0.851 . . . . 0.0 110.682 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.414 ' N ' ' CG ' ' A' ' 10' ' ' HIS . 20.8 ttm -62.14 -132.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.709 0.766 . . . . 0.0 110.469 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.81 171.67 11.72 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.377 -0.827 . . . . 0.0 109.766 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.8 147.39 95.34 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 122.733 2.289 . . . . 0.0 112.995 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -62.7 -40.3 96.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.67 -0.644 . . . . 0.0 109.783 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.72 -46.26 90.4 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.067 -1.021 . . . . 0.0 109.743 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -63.06 -43.21 99.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.13 -0.981 . . . . 0.0 109.654 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.7 t -66.25 -43.09 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.465 -0.772 . . . . 0.0 109.584 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -60.97 -44.64 97.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.844 . . . . 0.0 109.49 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.67 -45.35 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.139 -0.975 . . . . 0.0 109.659 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.58 -41.68 92.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.424 -0.798 . . . . 0.0 109.894 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -62.99 -43.69 98.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.16 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -63.38 -47.59 81.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.497 -0.752 . . . . 0.0 109.689 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -62.0 -50.32 72.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.847 . . . . 0.0 109.568 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' ARG . 51.7 tp -64.39 -42.42 96.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.293 -0.879 . . . . 0.0 109.687 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -60.69 -48.1 83.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.399 -0.813 . . . . 0.0 109.665 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.17 -38.55 85.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.399 -0.813 . . . . 0.0 109.553 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -103.71 30.82 4.8 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' LEU . 50.4 ptt85 -61.74 -38.8 89.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.647 -0.658 . . . . 0.0 109.819 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -73.69 -16.56 61.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.275 -0.89 . . . . 0.0 109.609 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' ALA . 34.6 t30 -120.83 -97.92 0.45 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.695 -0.628 . . . . 0.0 109.691 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . 39.52 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.785 -0.572 . . . . 0.0 110.2 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.479 ' C ' ' H ' ' A' ' 34' ' ' SER . 5.6 m-85 -99.78 154.34 37.3 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.433 -0.792 . . . . 0.0 109.533 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.94 26.33 0.21 Allowed 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.783 2.322 . . . . 0.0 111.437 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 32' ' ' TYR . 17.5 m -71.47 154.07 41.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 0.0 110.518 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.58 -34.08 77.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.466 -0.771 . . . . 0.0 109.944 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.17 -44.24 92.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.127 -0.983 . . . . 0.0 109.405 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -68.72 -38.58 80.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.304 -0.872 . . . . 0.0 109.504 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.627 ' HZ3' ' HG ' ' A' ' 53' ' ' CYS . 54.3 mtpt -64.29 -40.54 96.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.23 -0.919 . . . . 0.0 109.46 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.41 94.96 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.223 -0.923 . . . . 0.0 108.955 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tt -63.3 -43.68 97.17 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 122.052 0.93 . . . . 0.0 108.86 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.428 ' O ' ' OG1' ' A' ' 45' ' ' THR . 97.9 mt -70.7 -40.37 72.91 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.116 -0.99 . . . . 0.0 109.448 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 m -63.13 -48.25 79.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 0.0 110.464 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -69.44 -39.4 77.82 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 109.539 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.39 -39.42 85.6 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.409 -0.807 . . . . 0.0 109.565 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 41' ' ' LEU . 70.0 p -100.61 172.62 6.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.802 0.811 . . . . 0.0 109.704 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -96.66 9.03 42.82 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -94.09 145.51 24.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.275 -0.891 . . . . 0.0 110.015 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 m -74.23 174.12 9.22 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.761 0.791 . . . . 0.0 110.523 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -66.42 -34.08 77.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.606 -0.684 . . . . 0.0 109.637 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.83 -46.69 88.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.073 -1.017 . . . . 0.0 109.921 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.73 -39.96 73.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 109.616 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.54 -42.85 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.485 -0.759 . . . . 0.0 109.468 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.627 ' HG ' ' HZ3' ' A' ' 38' ' ' LYS . 8.3 t -61.42 -48.89 79.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.167 -0.958 . . . . 0.0 110.186 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.81 -44.36 93.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.291 -0.88 . . . . 0.0 109.736 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.446 ' CA ' HH12 ' A' ' 83' ' ' ARG . 83.8 t90 -70.33 -41.43 73.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.482 -0.761 . . . . 0.0 109.777 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.67 -48.98 76.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.264 -0.897 . . . . 0.0 110.22 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.6 -46.13 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.161 -0.962 . . . . 0.0 109.943 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.452 HD21 HH21 ' A' ' 83' ' ' ARG . 54.5 t-20 -68.18 -41.93 80.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.372 -0.83 . . . . 0.0 109.677 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.98 -48.12 63.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.487 -0.758 . . . . 0.0 109.653 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -66.41 -45.68 79.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.9 . . . . 0.0 109.792 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -65.91 -22.72 66.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.363 -0.835 . . . . 0.0 110.086 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -98.42 -23.94 15.37 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.297 -0.877 . . . . 0.0 109.863 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 64' ' ' LEU . 44.2 mt -90.18 -72.12 0.58 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.136 -0.978 . . . . 0.0 110.995 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 63' ' ' LEU . 3.5 mm? -28.92 -64.31 0.18 Allowed Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.893 -0.505 . . . . 0.0 112.204 -178.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 13.4 Cg_endo -57.31 -55.47 2.51 Favored 'Trans proline' 0 C--N 1.303 -1.822 0 C-N-CA 121.654 1.569 . . . . 0.0 112.399 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.69 -43.64 96.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.54 -0.725 . . . . 0.0 110.802 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 51.4 ttm -57.81 -48.5 79.56 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.218 -0.926 . . . . 0.0 109.497 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.12 -42.14 89.58 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.185 -0.947 . . . . 0.0 109.941 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -72.35 -18.97 61.71 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.417 -0.802 . . . . 0.0 109.175 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -70.33 -56.97 5.41 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.237 -0.914 . . . . 0.0 109.548 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 71' ' ' ASP . 62.4 t0 -174.26 30.31 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.561 -0.712 . . . . 0.0 109.411 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.99 105.83 0.01 OUTLIER Glycine 0 N--CA 1.494 2.556 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.089 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 tttt 59.35 89.81 0.06 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.619 -0.93 . . . . 0.0 109.931 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -114.04 97.11 44.21 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -51.74 -36.67 62.92 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.331 2.021 . . . . 0.0 111.727 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -82.87 109.8 17.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.494 -0.754 . . . . 0.0 109.664 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -157.03 114.75 3.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 109.061 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -100.06 142.86 30.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.436 -0.79 . . . . 0.0 110.206 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 p -70.64 139.45 51.33 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.578 0.704 . . . . 0.0 110.7 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.0 tt -145.96 21.56 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.0 t -60.37 140.98 56.89 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.283 -0.885 . . . . 0.0 109.927 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -85.86 116.31 24.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.506 -0.746 . . . . 0.0 109.915 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.516 ' C ' ' H ' ' A' ' 85' ' ' ALA . 13.2 ptp180 178.88 -18.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.27 38.25 0.44 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.57 ' C ' ' H ' ' A' ' 87' ' ' ILE . . . -82.05 0.89 38.38 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.025 -1.279 . . . . 0.0 108.877 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.8 tttm 65.81 -12.52 0.17 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.738 -0.601 . . . . 0.0 109.952 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.57 ' H ' ' C ' ' A' ' 85' ' ' ALA . 95.7 mt -109.58 125.45 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.435 -0.791 . . . . 0.0 109.825 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ILE . 2.4 t 39.28 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.495 0.664 . . . . 0.0 110.22 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 87' ' ' ILE . 58.4 mp0 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.094 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mtp . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.36 88.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -77.53 130.99 37.65 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.128 -1.219 . . . . 0.0 110.458 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -84.78 -6.31 59.35 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 6' ' ' HIS . 52.9 p-80 -152.69 -159.54 1.02 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 0.0 109.979 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.422 ' O ' ' CD2' ' A' ' 5' ' ' HIS . 33.0 m170 -72.02 151.37 43.22 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.757 0.789 . . . . 0.0 110.715 -178.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -65.59 165.65 11.98 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.767 0.794 . . . . 0.0 110.993 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 55.13 -175.14 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.709 0.766 . . . . 0.0 110.636 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 57.95 76.36 0.34 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.573 0.701 . . . . 0.0 109.953 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -67.43 -38.71 84.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.564 -0.71 . . . . 0.0 109.458 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 11' ' ' MET . 3.8 ppp? -62.79 141.74 58.49 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.379 -0.826 . . . . 0.0 110.23 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.4 mt -86.04 150.06 51.72 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.16 -0.963 . . . . 0.0 110.007 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -40.19 163.95 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.612 2.208 . . . . 0.0 113.313 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.95 -39.91 96.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.403 -0.81 . . . . 0.0 109.742 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -58.83 -50.99 71.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.027 -1.046 . . . . 0.0 109.579 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.0 t -63.76 -42.87 97.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.905 . . . . 0.0 109.76 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.92 -43.18 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.419 -0.801 . . . . 0.0 109.649 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -57.74 -47.91 81.1 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.144 -0.972 . . . . 0.0 109.867 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.49 -46.41 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.975 -1.078 . . . . 0.0 110.148 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.61 -41.6 92.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.243 -0.911 . . . . 0.0 109.777 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -63.31 -41.16 98.92 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.471 -0.768 . . . . 0.0 109.853 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.86 -48.67 79.14 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.179 -0.951 . . . . 0.0 109.796 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -61.55 -43.26 99.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.322 -0.861 . . . . 0.0 109.818 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.3 tp -66.64 -38.2 86.39 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.016 -1.053 . . . . 0.0 109.439 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -58.14 -44.12 87.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.48 -0.763 . . . . 0.0 109.68 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.08 -17.21 53.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.319 -0.863 . . . . 0.0 109.464 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -122.48 44.83 2.52 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.63 -0.669 . . . . 0.0 109.536 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.01 -42.2 97.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.422 -0.799 . . . . 0.0 109.311 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.427 ' OH ' ' OD2' ' A' ' 71' ' ' ASP . 43.7 m-85 -89.79 -22.23 22.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.44 -0.788 . . . . 0.0 108.952 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -95.44 29.96 2.4 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.91 63.64 7.66 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.393 -0.817 . . . . 0.0 108.996 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.54 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 40.7 p90 -99.88 111.66 62.34 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.334 -0.853 . . . . 0.0 108.832 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -49.04 135.04 29.88 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.898 1.732 . . . . 0.0 113.001 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.6 t -165.39 154.42 12.18 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.178 -0.951 . . . . 0.0 109.692 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -65.27 -36.77 85.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.421 -0.799 . . . . 0.0 109.417 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.0 -47.0 79.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 0.0 109.941 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.63 -45.18 69.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.263 -0.898 . . . . 0.0 109.717 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.83 -40.76 95.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.759 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.07 95.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.107 -0.996 . . . . 0.0 109.478 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.97 -45.3 89.71 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.166 -0.959 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.3 -41.13 94.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.51 -0.744 . . . . 0.0 109.472 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.3 p -63.52 -34.61 78.17 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.351 -0.843 . . . . 0.0 109.67 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -69.04 -39.94 78.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.144 -0.972 . . . . 0.0 109.9 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.08 -41.85 94.66 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 109.603 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 p -96.34 -4.3 42.27 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.539 ' N ' ' O ' ' A' ' 42' ' ' SER . 78.8 m80 56.57 13.61 1.42 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.683 -0.635 . . . . 0.0 109.627 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -79.27 160.91 26.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.508 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 m -72.61 161.41 30.81 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.602 0.715 . . . . 0.0 110.403 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 m -61.32 -44.75 96.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.577 -0.702 . . . . 0.0 109.571 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.434 ' CD1' ' N ' ' A' ' 50' ' ' LEU . 10.5 mp -63.04 -40.44 97.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.118 -0.988 . . . . 0.0 109.457 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -62.6 -43.61 98.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.14 -0.975 . . . . 0.0 109.386 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.62 -43.35 93.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.687 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.8 m -63.47 -43.09 98.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.88 . . . . 0.0 110.249 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -64.47 -46.96 80.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.95 -1.094 . . . . 0.0 109.571 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -67.97 -38.84 83.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.53 -0.731 . . . . 0.0 109.391 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -58.48 -45.91 87.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.457 -0.777 . . . . 0.0 110.039 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CD1' ' O ' ' A' ' 83' ' ' ARG . 95.9 mt -63.64 -44.26 98.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.224 -0.923 . . . . 0.0 109.683 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -68.78 -47.54 65.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.11 -0.994 . . . . 0.0 110.402 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.44 94.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.767 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.7 ' NH2' ' H ' ' A' ' 81' ' ' SER . 73.2 ttp85 -64.04 -42.0 97.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.39 -0.819 . . . . 0.0 109.114 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.688 HH21 ' N ' ' A' ' 81' ' ' SER . 33.0 mmt180 -74.06 -12.07 60.51 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.761 -0.587 . . . . 0.0 110.105 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -110.26 -6.5 15.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.57 -0.706 . . . . 0.0 109.755 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' LEU . 81.0 mt -114.07 -66.98 1.03 Allowed 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.35 -0.844 . . . . 0.0 111.271 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 5.9 mp -39.62 -62.91 0.74 Allowed Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.582 -0.699 . . . . 0.0 111.294 -178.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 38.6 Cg_exo -38.4 -48.69 2.46 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 121.932 1.754 . . . . 0.0 112.063 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -66.4 -53.07 39.96 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.443 -0.786 . . . . 0.0 110.612 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 89.7 mmm -64.93 -42.24 94.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.251 -0.906 . . . . 0.0 110.12 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.5 -39.37 91.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.534 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -59.9 -43.06 95.04 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.191 -0.943 . . . . 0.0 108.932 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -64.02 -47.62 79.51 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.229 -0.919 . . . . 0.0 109.584 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' OD2' ' OH ' ' A' ' 29' ' ' TYR . 64.5 t0 -66.24 -34.18 77.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.393 -0.817 . . . . 0.0 109.145 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.93 14.01 63.52 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -111.04 121.12 44.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.551 -0.97 . . . . 0.0 109.557 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.628 ' H ' ' CD ' ' A' ' 75' ' ' PRO . 0.9 OUTLIER -108.18 -41.33 0.13 Allowed Pre-proline 0 N--CA 1.496 1.875 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.399 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.628 ' CD ' ' H ' ' A' ' 74' ' ' ASP . 26.9 Cg_exo -61.04 162.43 19.35 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.807 2.338 . . . . 0.0 112.765 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 6.1 t-20 74.3 40.64 0.41 Allowed 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 78' ' ' PHE . 1.4 tm0? -126.25 -54.89 1.47 Allowed 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 79' ' ' THR . 99.7 m-85 37.73 -157.45 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.812 -0.555 . . . . 0.0 110.56 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 78' ' ' PHE . 2.0 p 38.42 43.58 0.65 Allowed 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.797 0.808 . . . . 0.0 109.803 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.545 ' C ' ' H ' ' A' ' 82' ' ' ARG . 37.1 pt -85.79 145.14 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.558 -0.714 . . . . 0.0 110.479 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.7 ' H ' ' NH2' ' A' ' 60' ' ' ARG . 1.8 t 71.87 -34.49 0.3 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.684 -0.635 . . . . 0.0 109.599 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.545 ' H ' ' C ' ' A' ' 80' ' ' ILE . 18.6 tpt85 41.81 -89.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.254 0.549 . . . . 0.0 110.259 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' A' ' 81' ' ' SER . 77.8 ttt-85 -141.08 82.86 1.85 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.432 -0.793 . . . . 0.0 109.272 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . 156.26 -162.6 31.52 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 54.24 -82.65 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.614 -0.933 . . . . 0.0 110.551 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 84' ' ' GLY . 68.4 mttm -72.49 148.47 45.03 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.295 -0.878 . . . . 0.0 110.613 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.425 ' O ' ' O ' ' A' ' 88' ' ' SER . 3.5 mp -79.15 131.39 34.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-O 121.748 0.785 . . . . 0.0 110.494 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 87' ' ' ILE . 2.9 p 59.69 131.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.776 0.798 . . . . 0.0 110.751 179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' OXT' ' O ' ' A' ' 88' ' ' SER . 81.1 tt0 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.11 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' H1 ' ' H ' ' A' ' 2' ' ' GLY . 66.4 mtt . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.427 ' H ' ' H1 ' ' A' ' 1' ' ' MET . . . 80.58 12.49 82.87 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -134.88 142.37 46.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.443 -1.034 . . . . 0.0 109.797 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -146.37 62.54 1.22 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -64.1 -44.04 93.54 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.447 -0.783 . . . . 0.0 109.671 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -84.0 137.68 33.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.37 -0.831 . . . . 0.0 110.03 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -156.3 75.69 0.88 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -112.41 130.13 56.08 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.489 -0.757 . . . . 0.0 109.829 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -165.99 129.09 2.06 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.332 -0.855 . . . . 0.0 109.389 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -60.85 -41.52 96.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.54 -0.725 . . . . 0.0 109.63 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 78.5 mtm -145.67 -95.67 0.09 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.383 -0.823 . . . . 0.0 109.768 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.34 174.51 3.84 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.673 -0.642 . . . . 0.0 109.847 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.93 146.95 91.91 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.406 2.071 . . . . 0.0 112.607 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -61.32 -37.83 84.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.615 -0.678 . . . . 0.0 109.49 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.87 -47.65 85.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.537 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.9 p -67.22 -40.06 86.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.134 -0.979 . . . . 0.0 109.355 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.38 -43.29 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.398 -0.814 . . . . 0.0 109.24 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.29 -49.05 79.32 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.265 -0.897 . . . . 0.0 109.649 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.65 -44.89 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.084 -1.01 . . . . 0.0 109.767 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.6 mt -63.36 -41.79 98.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.386 -0.821 . . . . 0.0 109.712 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.08 -39.28 91.89 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.369 -0.832 . . . . 0.0 109.376 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.76 -47.67 79.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -0.835 . . . . 0.0 109.684 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -60.47 -41.65 94.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.134 -0.979 . . . . 0.0 109.467 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.27 -40.89 98.67 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.3 -0.875 . . . . 0.0 108.883 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.551 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 3.0 m-85 -60.33 -43.18 96.63 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.719 -0.613 . . . . 0.0 109.696 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' NE2' ' A' ' 77' ' ' GLN . 80.7 mm-40 -67.03 -38.02 85.16 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.291 -0.881 . . . . 0.0 109.522 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -91.92 14.86 14.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 108.859 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.551 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 45.2 ttm180 -58.22 146.64 33.15 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.488 -0.758 . . . . 0.0 110.219 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.7 t80 69.18 -60.81 0.45 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.375 0.607 . . . . 0.0 109.642 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 31' ' ' ALA . 76.8 m-20 -62.75 -42.16 99.54 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.358 -0.839 . . . . 0.0 109.544 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' ' CD2' ' A' ' 32' ' ' TYR . . . 48.21 104.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.501 -0.75 . . . . 0.0 110.77 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 31' ' ' ALA . 26.6 m-85 -164.21 73.09 1.68 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.028 -1.045 . . . . 0.0 109.1 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.496 ' CG ' ' NH2' ' A' ' 60' ' ' ARG . 35.8 Cg_exo -60.5 148.71 89.96 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.906 2.404 . . . . 0.0 112.34 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 t -147.56 154.99 41.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.218 -0.926 . . . . 0.0 109.827 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -56.89 -22.2 35.37 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.473 -0.767 . . . . 0.0 109.814 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -60.23 -49.47 77.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.153 -0.967 . . . . 0.0 109.624 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 52.1 mp0 -68.15 -39.98 82.5 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.326 -0.859 . . . . 0.0 109.473 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -63.16 -40.83 98.69 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.317 -0.865 . . . . 0.0 109.468 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.78 -53.54 54.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.211 -0.931 . . . . 0.0 109.974 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.86 -40.49 95.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.869 . . . . 0.0 109.471 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' O ' ' OG1' ' A' ' 45' ' ' THR . 28.1 mt -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.272 -0.893 . . . . 0.0 109.669 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.6 p -62.08 -39.55 92.8 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.272 -0.892 . . . . 0.0 109.632 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -77.04 -45.97 25.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 0.0 109.452 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.79 -40.6 92.08 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.356 -0.84 . . . . 0.0 109.67 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 47' ' ' LEU . 22.9 p -107.77 129.69 55.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.519 -0.738 . . . . 0.0 109.12 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -71.17 42.68 0.07 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.665 -0.647 . . . . 0.0 109.488 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 45' ' ' THR . 86.4 mt -114.09 148.47 37.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.603 -0.686 . . . . 0.0 109.643 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -68.56 159.98 30.84 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.682 0.753 . . . . 0.0 110.684 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.7 m -61.79 -43.69 98.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.64 -0.663 . . . . 0.0 110.125 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 50' ' ' LEU . 10.8 mp -62.95 -40.39 97.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.171 -0.956 . . . . 0.0 109.708 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -62.31 -41.24 98.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.334 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.57 -44.47 96.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.366 -0.833 . . . . 0.0 109.569 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -64.42 -47.28 79.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.37 -0.831 . . . . 0.0 110.11 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -63.61 -41.49 98.29 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.897 . . . . 0.0 109.196 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -66.3 -38.52 87.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.498 -0.751 . . . . 0.0 109.851 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.83 -46.36 87.86 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 109.892 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.19 -48.44 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.094 -1.004 . . . . 0.0 110.426 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -67.72 -42.78 81.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.997 -1.064 . . . . 0.0 110.057 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.51 81.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.278 -0.889 . . . . 0.0 109.58 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.496 ' NH2' ' CG ' ' A' ' 33' ' ' PRO . 37.2 ttm180 -62.55 -49.38 75.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.034 -1.041 . . . . 0.0 109.856 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -75.99 -5.54 46.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.191 -0.943 . . . . 0.0 110.052 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -107.03 -26.98 10.92 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.606 -0.684 . . . . 0.0 110.285 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.7 mt -98.05 -45.39 6.27 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.184 -0.947 . . . . 0.0 111.008 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.525 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.6 tp -51.68 -43.41 87.79 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.076 -1.015 . . . . 0.0 111.016 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 2.1 Cg_endo -76.48 -36.62 1.64 Allowed 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 121.768 1.646 . . . . 0.0 111.187 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -67.33 -49.26 64.79 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.421 0.629 . . . . 0.0 109.83 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.418 ' SD ' ' NH1' ' A' ' 28' ' ' ARG . 1.5 tmt? -64.4 -45.95 85.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.303 -0.873 . . . . 0.0 109.58 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.08 -42.21 94.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.346 -0.846 . . . . 0.0 109.918 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -64.74 -43.76 92.3 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.17 -0.956 . . . . 0.0 109.331 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -65.54 -45.12 84.64 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.437 -0.79 . . . . 0.0 109.643 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 51.6 p-10 -171.94 79.59 0.06 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.478 -0.764 . . . . 0.0 109.565 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.67 34.1 2.76 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -154.28 46.74 0.59 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.362 -1.081 . . . . 0.0 108.638 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.443 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 27.2 p-10 -173.05 53.1 0.15 Allowed Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.709 -0.62 . . . . 0.0 109.597 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.519 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 53.2 Cg_endo -67.64 147.13 75.53 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.881 2.387 . . . . 0.0 112.509 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 75' ' ' PRO . 17.2 m120 -142.15 -64.13 0.43 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.328 -0.857 . . . . 0.0 109.427 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.524 ' NE2' ' OE2' ' A' ' 26' ' ' GLU . 10.7 tt0 46.06 91.31 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.607 -0.683 . . . . 0.0 109.552 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 79' ' ' THR . 80.4 t80 -99.72 74.76 1.87 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.532 -0.73 . . . . 0.0 109.465 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 81' ' ' SER . 5.0 m 59.39 143.58 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.346 0.593 . . . . 0.0 110.651 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.441 ' O ' ' OG ' ' A' ' 81' ' ' SER . 4.7 tt 36.86 30.02 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 CA-C-O 121.651 0.739 . . . . 0.0 110.196 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 79' ' ' THR . 90.9 p 50.6 -161.82 0.06 Allowed 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.749 0.785 . . . . 0.0 110.488 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -87.99 137.32 32.44 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.48 -0.762 . . . . 0.0 110.508 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -80.73 -6.54 58.59 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.39 -0.819 . . . . 0.0 108.959 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.72 20.69 39.39 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.31 145.14 56.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.326 -1.102 . . . . 0.0 110.255 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -133.1 -18.79 2.28 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.3 tt -70.28 135.07 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.437 -0.789 . . . . 0.0 110.156 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 89' ' ' GLU . 90.7 p -71.91 163.15 28.36 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.741 0.781 . . . . 0.0 110.665 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 88' ' ' SER . 73.8 mm-40 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.892 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.461 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.92 1.04 89.11 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -71.89 134.97 46.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.315 -1.109 . . . . 0.0 110.055 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -87.03 156.32 19.8 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.228 -0.92 . . . . 0.0 110.259 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -71.46 130.74 42.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.2 -0.938 . . . . 0.0 110.244 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -66.46 -43.2 86.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.807 . . . . 0.0 109.568 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -174.95 -44.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.51 -0.744 . . . . 0.0 109.232 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -77.11 146.99 36.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.34 -0.85 . . . . 0.0 110.485 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 m -74.72 161.93 29.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.536 -0.728 . . . . 0.0 110.641 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -62.53 -30.24 71.15 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.3 -0.875 . . . . 0.0 109.723 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.0 tpp -67.9 143.78 55.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.159 -0.963 . . . . 0.0 109.758 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.58 152.81 75.74 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.179 -0.951 . . . . 0.0 109.495 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -43.64 157.72 0.12 Allowed 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.38 2.054 . . . . 0.0 113.259 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -44.53 96.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.463 -0.773 . . . . 0.0 110.106 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.89 -41.7 99.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.109 -0.994 . . . . 0.0 109.734 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -63.51 -43.58 96.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.065 -1.022 . . . . 0.0 109.515 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.47 -43.27 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.254 -0.904 . . . . 0.0 109.218 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -57.16 -44.97 83.98 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.332 -0.855 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.424 HG22 HD13 ' A' ' 19' ' ' ILE . 96.9 mt -64.22 -44.94 97.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.136 -0.978 . . . . 0.0 109.468 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.54 -42.37 92.0 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.918 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -65.59 -41.89 92.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.31 -0.869 . . . . 0.0 109.911 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.59 -46.17 91.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.275 -0.89 . . . . 0.0 110.207 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.539 ' NE1' ' OE2' ' A' ' 37' ' ' GLU . 68.3 t-105 -62.68 -41.14 98.94 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 109.615 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' ARG . 32.7 tp -63.04 -40.82 98.86 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.28 -0.887 . . . . 0.0 109.485 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CE1' ' NH2' ' A' ' 28' ' ' ARG . 3.7 m-85 -60.85 -37.88 83.6 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.345 -0.847 . . . . 0.0 109.191 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 80' ' ' ILE . 95.9 mt-10 -63.44 -39.16 93.73 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.153 -0.967 . . . . 0.0 109.375 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -134.94 57.21 1.81 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.471 -0.768 . . . . 0.0 108.952 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 25' ' ' TYR . 4.3 ptp180 -71.07 -35.51 71.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.592 -0.693 . . . . 0.0 109.922 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -61.21 -47.15 87.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.183 -0.948 . . . . 0.0 110.142 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 21.7 t-20 -97.08 -105.08 0.17 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.191 -0.943 . . . . 0.0 110.216 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' N ' ' CG ' ' A' ' 30' ' ' ASN . . . 44.39 51.86 7.55 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.02 166.14 40.67 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 109.265 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.51 134.28 51.96 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.284 1.989 . . . . 0.0 113.074 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.724 ' HG ' ' H ' ' A' ' 37' ' ' GLU . 16.1 p -167.79 150.97 5.95 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.446 -0.784 . . . . 0.0 109.333 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 58.9 mp0 -71.2 -38.63 72.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.392 -0.818 . . . . 0.0 109.711 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -65.99 -43.24 88.34 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.242 -0.911 . . . . 0.0 109.984 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.724 ' H ' ' HG ' ' A' ' 34' ' ' SER . 51.0 tp10 -67.82 -43.73 78.94 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.233 -0.917 . . . . 0.0 109.611 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -63.01 -44.14 96.82 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.17 -0.956 . . . . 0.0 109.219 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.09 87.1 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.308 -0.87 . . . . 0.0 109.318 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.49 -48.66 76.74 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.338 -0.851 . . . . 0.0 109.421 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.85 -39.65 83.79 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.53 -0.731 . . . . 0.0 109.603 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 46' ' ' HIS . 38.2 t -60.85 -42.29 97.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.48 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.41 -40.68 93.66 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.197 -0.939 . . . . 0.0 109.138 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -64.86 -39.93 94.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.228 -0.92 . . . . 0.0 109.825 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.6 p -93.1 -10.56 35.56 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.252 -0.905 . . . . 0.0 109.116 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 42' ' ' SER . 59.2 m-70 60.86 7.65 1.55 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.533 -0.729 . . . . 0.0 109.121 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.403 ' O ' ' OG ' ' A' ' 42' ' ' SER . 91.9 mt -87.29 167.08 14.39 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.355 -0.84 . . . . 0.0 110.211 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.4 p -73.79 159.21 33.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.441 -0.787 . . . . 0.0 110.444 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.449 ' O ' ' SG ' ' A' ' 53' ' ' CYS . 30.1 p -67.92 -33.95 75.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.426 -0.796 . . . . 0.0 109.817 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.74 -45.37 93.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.136 -0.977 . . . . 0.0 109.844 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -70.3 -41.97 72.64 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.214 -0.929 . . . . 0.0 109.674 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.59 -43.67 93.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.289 -0.882 . . . . 0.0 109.71 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 49' ' ' THR . 87.3 m -61.83 -38.76 89.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.342 -0.849 . . . . 0.0 110.116 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -64.22 -41.16 97.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.091 -1.006 . . . . 0.0 109.728 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -59.45 -47.14 86.63 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.249 -0.907 . . . . 0.0 109.054 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.448 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 34.6 m-85 -65.73 -36.89 84.87 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.887 -1.125 . . . . 0.0 113.714 -177.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.02 -49.37 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 C-N-CA 115.868 -2.333 . . . . 0.0 108.89 -177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -68.97 -44.49 72.82 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.805 -1.185 . . . . 0.0 109.876 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.95 95.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.758 -1.214 . . . . 0.0 110.102 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 56' ' ' PHE . 79.8 mtp85 -63.47 -43.0 98.58 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.068 -1.02 . . . . 0.0 109.836 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.89 -17.73 62.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.189 -0.944 . . . . 0.0 110.184 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -104.56 -5.22 21.71 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.2 -0.937 . . . . 0.0 110.11 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' LEU . 79.0 mt -113.39 -66.28 1.1 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.301 -0.874 . . . . 0.0 110.425 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 6.4 mp -39.19 -64.13 0.54 Allowed Pre-proline 0 N--CA 1.498 1.948 0 O-C-N 121.485 -0.76 . . . . 0.0 110.987 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.428 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 12.6 Cg_endo -55.44 -41.94 73.02 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.784 1.656 . . . . 0.0 111.594 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -65.58 -45.71 82.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.268 -0.895 . . . . 0.0 110.085 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 54.7 tpp -71.41 -39.59 71.01 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.076 -1.015 . . . . 0.0 110.148 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' LYS . 57.0 mt -62.24 -45.73 92.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.025 -1.047 . . . . 0.0 109.984 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -72.26 -40.15 67.86 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.99 -1.069 . . . . 0.0 108.831 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.41 -44.26 91.81 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.089 -1.007 . . . . 0.0 109.471 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.38 -6.17 59.1 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.129 -0.982 . . . . 0.0 109.103 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 73' ' ' LYS . . . 73.89 24.66 73.59 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 72' ' ' GLY . 6.2 tmtt? 78.62 48.81 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.553 -0.969 . . . . 0.0 109.438 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.465 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 6.9 m-20 -151.25 52.69 1.01 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.153 -0.967 . . . . 0.0 108.778 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 74' ' ' ASP . 28.4 Cg_endo -63.16 141.12 81.52 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.329 2.019 . . . . 0.0 111.946 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -95.01 95.48 8.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.248 -0.908 . . . . 0.0 109.767 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.434 ' OE1' ' N ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.42 -10.1 36.31 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.417 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 97.0 m-85 -66.1 -40.0 90.42 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.466 -0.771 . . . . 0.0 110.074 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.1 p -62.65 136.4 57.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.03 -1.044 . . . . 0.0 110.489 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.413 ' O ' ' OE2' ' A' ' 26' ' ' GLU . 96.4 mt -76.23 -19.76 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.433 -0.792 . . . . 0.0 109.304 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.1 t -152.32 83.4 1.25 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.855 . . . . 0.0 109.091 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -65.66 -42.51 91.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.501 -0.749 . . . . 0.0 109.785 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -63.85 -41.74 97.72 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.292 -0.88 . . . . 0.0 109.184 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 57.11 23.1 45.62 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.64 102.87 6.33 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.934 -1.333 . . . . 0.0 110.078 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 88' ' ' SER . 88.9 tttt -156.69 112.06 2.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.152 -0.968 . . . . 0.0 109.341 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 87' ' ' ILE . 97.0 mt 45.92 -88.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.394 -0.816 . . . . 0.0 110.65 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 86' ' ' LYS . 17.7 m -71.96 151.69 43.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 110.74 -178.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 117.949 -1.025 . . . . 0.0 108.824 179.379 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 ptp . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.714 0.768 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.68 6.74 88.24 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -111.1 126.92 55.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.594 -0.945 . . . . 0.0 109.889 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -104.08 26.6 8.56 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 67.2 m80 56.54 103.66 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 121.782 0.801 . . . . 0.0 110.34 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.56 124.72 27.16 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.762 0.791 . . . . 0.0 110.166 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 8' ' ' HIS . 86.4 t60 -67.38 -40.52 85.69 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.478 0.656 . . . . 0.0 109.786 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.708 ' CG ' ' H ' ' A' ' 9' ' ' SER . 0.8 OUTLIER -58.79 -153.88 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.794 0.807 . . . . 0.0 110.279 -179.137 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.708 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 6.8 p 66.91 -164.68 0.22 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.833 0.825 . . . . 0.0 110.675 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -71.75 126.82 30.69 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.722 0.772 . . . . 0.0 109.725 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -94.87 -94.35 0.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.816 0.817 . . . . 0.0 109.563 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 mt -53.67 149.08 16.9 Favored Pre-proline 0 C--N 1.3 -1.545 0 O-C-N 121.962 -0.461 . . . . 0.0 110.086 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.29 141.56 0.74 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.801 2.334 . . . . 0.0 113.046 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.71 -31.44 72.62 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.402 0.62 . . . . 0.0 110.038 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.4 -49.6 73.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.404 -0.81 . . . . 0.0 109.996 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.462 ' HG ' ' N ' ' A' ' 17' ' ' VAL . 77.6 p -67.82 -39.27 83.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.316 -0.865 . . . . 0.0 109.7 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.462 ' N ' ' HG ' ' A' ' 16' ' ' SER . 71.4 t -66.59 -42.32 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.559 -0.713 . . . . 0.0 109.488 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.98 -44.01 93.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.597 -0.689 . . . . 0.0 110.057 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.405 HG23 HD13 ' A' ' 19' ' ' ILE . 95.9 mt -65.28 -44.5 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.327 -0.858 . . . . 0.0 109.682 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.81 -41.02 92.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.481 -0.762 . . . . 0.0 109.643 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -65.21 -41.6 94.33 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.542 0.687 . . . . 0.0 109.667 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.43 -44.11 97.7 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.528 -0.733 . . . . 0.0 109.951 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.543 ' CZ2' ' NE2' ' A' ' 27' ' ' HIS . 72.8 t-105 -64.34 -47.86 77.73 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.708 0.766 . . . . 0.0 109.562 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.7 -40.6 95.65 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.681 0.753 . . . . 0.0 110.009 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.473 ' CD1' ' NH2' ' A' ' 28' ' ' ARG . 75.4 t80 -60.24 -46.28 90.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.448 -0.782 . . . . 0.0 109.7 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.6 ' CG ' HH21 ' A' ' 83' ' ' ARG . 96.4 mt-10 -62.77 -48.23 80.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.403 -0.811 . . . . 0.0 109.57 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.566 ' O ' ' N ' ' A' ' 29' ' ' TYR . 89.1 m-70 -77.9 -77.38 0.16 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.44 -0.788 . . . . 0.0 109.675 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.584 ' NH2' ' SD ' ' A' ' 67' ' ' MET . 35.1 ttm180 57.41 -75.65 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.482 0.658 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.566 ' N ' ' O ' ' A' ' 27' ' ' HIS . 99.7 m-85 -61.31 -44.79 96.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.489 -0.757 . . . . 0.0 110.502 -178.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.495 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 77.2 m-20 -67.75 -61.87 1.68 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.098 -1.001 . . . . 0.0 109.589 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 45.9 98.7 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.916 0.865 . . . . 0.0 110.26 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 30' ' ' ASN . 41.7 m-85 -158.07 73.18 4.03 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.613 -0.679 . . . . 0.0 109.262 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.19 144.19 99.5 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.943 2.429 . . . . 0.0 112.3 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.511 ' HG ' ' H ' ' A' ' 35' ' ' GLU . 42.9 t -160.37 170.49 20.92 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.75 0.786 . . . . 0.0 109.86 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.511 ' H ' ' HG ' ' A' ' 34' ' ' SER . 58.5 mp0 -54.83 -22.21 13.75 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.536 0.684 . . . . 0.0 109.507 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -73.0 -57.68 3.86 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.499 -0.75 . . . . 0.0 109.477 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 37' ' ' GLU . 57.9 mp0 -72.35 -38.51 68.57 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.628 -0.67 . . . . 0.0 110.271 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.04 -43.24 99.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.349 -0.844 . . . . 0.0 109.53 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.97 76.41 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.652 0.739 . . . . 0.0 109.514 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.04 -45.26 86.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.506 -0.746 . . . . 0.0 110.031 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.14 -40.85 90.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.505 -0.747 . . . . 0.0 109.83 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.7 p -62.6 -39.26 93.17 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.505 0.669 . . . . 0.0 109.645 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -66.88 -44.8 79.95 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.535 -0.728 . . . . 0.0 109.461 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -70.57 -40.18 73.47 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.435 -0.791 . . . . 0.0 109.476 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p -87.11 165.79 15.49 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.814 0.816 . . . . 0.0 109.974 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -105.82 26.58 9.44 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.2 mt -109.42 150.42 28.1 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.755 0.788 . . . . 0.0 110.168 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.3 m -67.78 166.42 15.4 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.839 0.828 . . . . 0.0 110.395 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -61.94 -42.92 99.66 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.549 0.69 . . . . 0.0 109.595 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.5 -42.45 99.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.481 -0.762 . . . . 0.0 109.756 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.36 -40.37 95.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.499 -0.75 . . . . 0.0 109.368 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.92 -45.56 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.55 -0.719 . . . . 0.0 109.91 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.0 m -65.63 -45.75 81.85 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.366 -0.834 . . . . 0.0 109.417 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -64.96 -38.76 92.04 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.639 0.733 . . . . 0.0 109.393 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.402 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 85.7 t90 -58.35 -42.31 86.61 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.617 -0.677 . . . . 0.0 110.041 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -63.01 -44.39 96.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.41 -0.806 . . . . 0.0 110.104 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.61 -47.16 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.46 -0.775 . . . . 0.0 110.126 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -76.0 -44.58 38.89 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.44 -0.787 . . . . 0.0 110.247 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' LEU . . . -62.77 -44.81 95.2 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.549 -0.719 . . . . 0.0 110.072 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.53 -46.23 89.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.386 -0.821 . . . . 0.0 109.828 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.52 -16.49 63.45 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.439 -0.788 . . . . 0.0 110.039 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -102.1 -23.36 14.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.35 -0.844 . . . . 0.0 109.434 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 64' ' ' LEU . 69.3 mt -94.02 -70.21 0.72 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.34 -0.85 . . . . 0.0 110.909 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -31.39 -64.88 0.21 Allowed Pre-proline 0 N--CA 1.501 2.094 0 O-C-N 121.89 -0.506 . . . . 0.0 112.055 -178.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 17.4 Cg_endo -58.67 -55.92 1.78 Allowed 'Trans proline' 0 C--N 1.303 -1.849 0 C-N-CA 121.602 1.535 . . . . 0.0 112.633 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.56 -48.68 78.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.557 -0.714 . . . . 0.0 110.765 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.584 ' SD ' ' NH2' ' A' ' 28' ' ' ARG . 28.9 ttp -59.8 -46.36 89.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.423 -0.798 . . . . 0.0 110.395 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.54 -40.47 97.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.504 -0.747 . . . . 0.0 110.238 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -79.54 -17.71 53.43 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.372 -0.83 . . . . 0.0 109.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.41 -46.45 79.95 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -169.34 29.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 44.16 70.88 0.51 Allowed Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 58.94 112.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.786 0.803 . . . . 0.0 110.126 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.58 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER 179.99 -44.55 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.669 -0.644 . . . . 0.0 109.453 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 74' ' ' ASP . 32.5 Cg_exo -59.8 142.07 97.96 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.443 2.096 . . . . 0.0 112.482 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -148.96 100.57 3.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.626 -0.671 . . . . 0.0 109.446 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.18 -79.74 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.399 0.618 . . . . 0.0 109.723 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -79.65 160.3 26.39 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.813 0.816 . . . . 0.0 110.428 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 80' ' ' ILE . 7.7 t -75.76 -152.56 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.769 0.795 . . . . 0.0 110.371 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.492 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.1 tp -49.37 129.64 6.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 121.645 0.736 . . . . 0.0 110.705 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.6 m -127.53 46.53 2.52 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.469 0.652 . . . . 0.0 109.257 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.6 ttp85 58.16 89.24 0.05 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.813 0.816 . . . . 0.0 110.322 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.6 HH21 ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -65.52 143.5 57.61 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.856 0.836 . . . . 0.0 110.189 -179.747 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.563 ' C ' ' H ' ' A' ' 86' ' ' LYS . . . -86.64 90.98 1.7 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 52.76 6.62 0.05 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.833 -0.804 . . . . 0.0 109.492 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.563 ' H ' ' C ' ' A' ' 84' ' ' GLY . 44.8 tttp -83.11 137.41 34.09 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.854 0.835 . . . . 0.0 110.291 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.461 ' O ' ' OG ' ' A' ' 88' ' ' SER . 4.9 mp -84.49 -3.76 8.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 87' ' ' ILE . 4.0 p 72.2 4.4 5.0 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.525 0.679 . . . . 0.0 109.668 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.652 179.866 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 ttp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.84 -78.67 0.72 Allowed Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 80.5 m80 42.94 75.8 0.09 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.623 -0.928 . . . . 0.0 109.702 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -89.86 -1.43 57.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.492 -0.755 . . . . 0.0 109.082 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -60.88 -40.1 91.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.345 -0.847 . . . . 0.0 109.334 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -64.97 -171.38 0.07 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.461 -0.774 . . . . 0.0 110.463 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.1 m80 57.68 101.16 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.74 0.781 . . . . 0.0 109.96 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -69.79 142.05 53.25 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.726 0.774 . . . . 0.0 110.314 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m 55.48 -169.74 0.08 Allowed 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.704 0.764 . . . . 0.0 110.356 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -137.89 67.44 1.42 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.2 ttt -84.42 129.45 34.86 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.698 0.761 . . . . 0.0 109.684 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt -85.47 151.66 56.41 Favored Pre-proline 0 N--CA 1.488 1.438 0 O-C-N 121.702 -0.623 . . . . 0.0 109.665 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.28 157.4 0.17 Allowed 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.579 2.186 . . . . 0.0 113.001 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -60.69 -41.33 94.94 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.458 0.647 . . . . 0.0 109.859 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -59.57 -48.17 82.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.457 -0.777 . . . . 0.0 109.633 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.5 t -64.39 -42.05 96.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.463 -0.773 . . . . 0.0 109.708 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.0 -43.2 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.449 -0.782 . . . . 0.0 109.459 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -45.41 91.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.333 -0.854 . . . . 0.0 109.613 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.411 HD12 HG22 ' A' ' 19' ' ' ILE . 95.7 mt -64.95 -45.05 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 CA-C-O 121.696 0.76 . . . . 0.0 109.526 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.88 -41.47 91.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.5 -0.75 . . . . 0.0 109.781 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -63.31 -43.27 98.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.428 -0.795 . . . . 0.0 109.637 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -62.3 -45.89 91.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.576 -0.703 . . . . 0.0 109.717 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -63.09 -46.61 86.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.845 . . . . 0.0 109.413 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.19 -40.44 96.11 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.808 0.813 . . . . 0.0 109.218 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.613 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 58.4 t80 -60.65 -47.82 84.55 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.625 -0.672 . . . . 0.0 110.134 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.71 -38.98 77.13 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.425 -0.797 . . . . 0.0 110.064 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.53 46.28 0.93 Allowed 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.613 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 16.9 ptp180 -66.31 -30.27 70.64 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 121.504 0.669 . . . . 0.0 109.777 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -61.78 -43.44 98.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.408 -0.808 . . . . 0.0 109.443 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -78.51 -104.95 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.464 -0.773 . . . . 0.0 109.652 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 64.31 44.93 4.08 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.393 0.616 . . . . 0.0 109.808 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.499 ' C ' ' H ' ' A' ' 34' ' ' SER . 10.5 m-85 -99.81 153.46 37.76 Favored Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 109.335 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.58 19.37 0.18 Allowed 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.858 2.372 . . . . 0.0 111.334 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 32' ' ' TYR . 32.1 t -63.42 149.23 46.46 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.724 0.773 . . . . 0.0 110.463 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.02 -34.16 77.77 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.507 0.67 . . . . 0.0 109.445 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.51 -40.17 95.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.456 -0.777 . . . . 0.0 109.468 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -65.96 -45.68 80.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.49 -0.756 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -66.04 -39.2 89.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.583 -0.698 . . . . 0.0 109.863 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.55 77.38 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.4 -0.813 . . . . 0.0 109.844 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.73 -43.01 97.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.327 -0.858 . . . . 0.0 109.682 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.85 -40.43 91.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.555 -0.716 . . . . 0.0 109.554 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -62.57 -36.48 82.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.589 -0.695 . . . . 0.0 109.504 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.22 -39.1 75.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.531 -0.73 . . . . 0.0 109.657 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -70.48 -39.87 73.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.451 -0.78 . . . . 0.0 109.908 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.463 ' C ' ' H ' ' A' ' 47' ' ' LEU . 81.5 p -110.65 128.84 55.86 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.826 0.822 . . . . 0.0 109.719 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -71.05 44.33 0.08 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 121.336 0.588 . . . . 0.0 109.51 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 45' ' ' THR . 95.5 mt -114.87 149.24 37.45 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.74 0.781 . . . . 0.0 109.943 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.2 p -70.75 165.66 22.57 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.858 0.837 . . . . 0.0 110.236 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.0 p -63.14 -40.2 96.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.675 -0.641 . . . . 0.0 109.912 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 10.5 mp -63.5 -42.26 98.51 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.47 -0.769 . . . . 0.0 109.492 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -68.38 -43.69 76.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.313 -0.867 . . . . 0.0 109.624 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -67.5 -43.3 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.531 -0.73 . . . . 0.0 109.776 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.4 t -60.01 -41.98 93.33 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.554 -0.716 . . . . 0.0 110.117 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -62.68 -49.18 76.13 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.185 -0.947 . . . . 0.0 109.73 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -69.34 -38.73 78.28 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.658 0.742 . . . . 0.0 109.763 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -59.26 -46.18 89.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.567 -0.708 . . . . 0.0 110.035 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.2 -49.21 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.163 -0.96 . . . . 0.0 109.955 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.501 HD22 ' NH2' ' A' ' 62' ' ' ARG . 36.5 t30 -65.69 -42.47 91.17 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.474 -0.766 . . . . 0.0 109.826 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.89 -34.38 75.33 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.549 0.69 . . . . 0.0 109.82 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.448 ' CG ' HE22 ' A' ' 77' ' ' GLN . 34.7 ttm180 -55.38 -60.54 3.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.446 -0.784 . . . . 0.0 109.258 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.582 ' NE ' ' NH2' ' A' ' 83' ' ' ARG . 84.1 mtt85 -61.68 -31.9 72.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.559 -0.713 . . . . 0.0 110.55 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.501 ' NH2' HD22 ' A' ' 58' ' ' ASN . 36.5 ttm180 -80.0 -15.23 57.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.387 -0.821 . . . . 0.0 110.948 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' LEU . 95.2 mt -114.34 -56.36 2.4 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.22 -0.925 . . . . 0.0 111.462 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . 3.7 mm? -36.87 -63.87 0.43 Allowed Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 121.655 -0.653 . . . . 0.0 111.41 -178.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.451 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 12.0 Cg_endo -56.52 -39.32 92.12 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 121.582 1.521 . . . . 0.0 111.663 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.39 -49.93 67.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.656 -0.653 . . . . 0.0 109.964 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -67.19 -42.5 84.09 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.67 0.748 . . . . 0.0 109.493 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.62 -41.25 96.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.54 -0.725 . . . . 0.0 109.876 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -62.3 -42.28 99.23 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.428 0.632 . . . . 0.0 109.759 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -62.41 -42.11 99.19 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.423 -0.798 . . . . 0.0 110.503 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -83.32 -5.77 59.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.198 -0.939 . . . . 0.0 109.425 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.43 18.58 79.85 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -86.4 149.4 25.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.419 -1.047 . . . . 0.0 110.455 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.48 153.35 44.18 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 121.701 -0.625 . . . . 0.0 109.587 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.61 139.11 62.31 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.83 2.353 . . . . 0.0 112.38 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -114.27 4.18 15.36 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.448 HE22 ' CG ' ' A' ' 60' ' ' ARG . 13.8 pt20 -133.18 -159.94 1.01 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.487 -0.758 . . . . 0.0 109.815 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -93.1 116.7 29.28 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.868 0.842 . . . . 0.0 110.155 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -162.49 122.73 2.42 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.637 0.732 . . . . 0.0 109.344 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.539 ' CD1' ' N ' ' A' ' 80' ' ' ILE . 2.1 mp -85.66 -77.39 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.645 -0.659 . . . . 0.0 109.883 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.571 ' O ' ' N ' ' A' ' 83' ' ' ARG . 31.2 p -156.54 87.16 1.02 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.449 -0.782 . . . . 0.0 109.742 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 57.52 -72.21 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.323 0.582 . . . . 0.0 110.347 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.582 ' NH2' ' NE ' ' A' ' 61' ' ' ARG . 56.2 ttp180 61.47 77.04 0.35 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.666 0.746 . . . . 0.0 109.957 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.52 156.96 38.25 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.24 145.34 54.36 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.838 -0.801 . . . . 0.0 110.286 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.7 tttt 59.07 116.17 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 122.018 0.914 . . . . 0.0 110.677 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.6 mt 52.62 100.6 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-O 121.93 0.871 . . . . 0.0 110.483 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -78.6 164.24 24.83 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.69 0.757 . . . . 0.0 110.372 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.374 -179.839 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.605 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.83 173.42 49.85 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -154.33 -10.26 0.14 Allowed 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.477 ' O ' ' ND1' ' A' ' 6' ' ' HIS . 56.9 p-80 -158.41 -156.16 0.53 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.494 -0.754 . . . . 0.0 109.998 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.6 t60 62.33 2.13 0.82 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.638 -0.664 . . . . 0.0 109.28 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 4' ' ' HIS . 73.8 m80 -92.95 13.96 19.06 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 9' ' ' SER . 77.2 m80 -54.52 -10.67 0.44 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.187 -0.946 . . . . 0.0 109.206 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.447 ' H ' ' C ' ' A' ' 6' ' ' HIS . 77.1 m80 -40.11 90.55 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 121.394 0.616 . . . . 0.0 110.373 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' HIS . 29.0 m -154.62 -67.68 0.13 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.416 ' HD1' ' N ' ' A' ' 10' ' ' HIS . 7.9 p-80 -153.3 161.86 41.91 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.271 -0.893 . . . . 0.0 110.08 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.44 ' CG ' ' H ' ' A' ' 12' ' ' LEU . 1.9 ptt? -98.85 -103.79 0.21 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.536 -0.728 . . . . 0.0 109.917 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' H ' ' CG ' ' A' ' 11' ' ' MET . 10.3 mt -52.97 147.62 15.81 Favored Pre-proline 0 N--CA 1.488 1.446 0 O-C-N 121.55 -0.719 . . . . 0.0 109.74 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.08 152.11 83.42 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.339 2.026 . . . . 0.0 112.375 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.51 ' HZ1' HH22 ' A' ' 21' ' ' ARG . 56.5 tttp -62.5 -36.48 82.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.377 -0.827 . . . . 0.0 109.563 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -58.32 -53.42 58.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 109.712 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -63.52 -41.73 98.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 0.0 109.887 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.06 -43.47 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.481 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.59 -40.54 87.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.317 -0.864 . . . . 0.0 109.761 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.411 HG22 HD11 ' A' ' 19' ' ' ILE . 96.4 mt -63.59 -43.95 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.255 -0.903 . . . . 0.0 109.45 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.21 -43.09 99.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.259 -0.901 . . . . 0.0 109.564 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.53 ' NH1' ' OG1' ' A' ' 79' ' ' THR . 90.1 mtm180 -67.21 -38.36 85.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.374 -0.828 . . . . 0.0 109.379 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.78 -46.71 89.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.327 -0.858 . . . . 0.0 109.836 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.509 ' NE1' ' OE2' ' A' ' 37' ' ' GLU . 64.4 t-105 -66.98 -42.29 85.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.478 -0.764 . . . . 0.0 109.516 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.16 -40.92 90.91 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.13 -0.981 . . . . 0.0 109.761 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.33 -48.67 78.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.294 -0.879 . . . . 0.0 109.58 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' OE2' ' CE3' ' A' ' 23' ' ' TRP . 16.3 pt-20 -70.89 -35.79 72.47 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.233 -0.917 . . . . 0.0 109.021 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 28' ' ' ARG . 9.2 t-160 -80.38 -81.55 0.12 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.293 -0.879 . . . . 0.0 109.705 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' ASN . 16.1 ptm180 32.59 -146.14 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.123 0.487 . . . . 0.0 110.913 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 53.44 -84.06 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.649 -0.657 . . . . 0.0 109.793 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 28' ' ' ARG . 15.2 t-20 -112.55 10.76 19.61 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.4 92.9 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.412 -0.805 . . . . 0.0 109.234 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 30' ' ' ASN . 39.0 p90 -92.87 147.27 33.67 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.303 -0.873 . . . . 0.0 109.521 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.98 141.28 52.77 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.319 2.013 . . . . 0.0 112.44 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -161.23 157.65 26.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 109.642 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.18 -37.78 81.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.348 -0.845 . . . . 0.0 109.266 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.26 -44.84 86.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.292 -0.88 . . . . 0.0 109.64 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.509 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 50.1 tp10 -68.87 -47.11 66.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 0.0 109.569 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.491 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 98.4 mttt -64.95 -40.67 95.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.492 -0.755 . . . . 0.0 109.951 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.3 85.81 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.288 -0.882 . . . . 0.0 109.35 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.13 -43.99 96.85 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.593 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.71 -41.22 96.14 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.371 -0.831 . . . . 0.0 109.614 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.2 p -61.67 -41.09 97.07 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.323 -0.86 . . . . 0.0 109.504 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.49 -38.86 77.86 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.255 -0.903 . . . . 0.0 109.318 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.74 -40.91 88.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.454 -0.779 . . . . 0.0 109.656 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 p -97.65 -3.07 40.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.197 -0.94 . . . . 0.0 108.828 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 42' ' ' SER . 59.8 t-80 59.08 12.93 2.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.532 -0.73 . . . . 0.0 109.245 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.6 mt -80.97 163.02 23.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.349 -0.845 . . . . 0.0 110.477 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.5 m -72.53 152.69 41.72 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.495 -0.753 . . . . 0.0 110.386 -179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.7 m -62.58 -43.26 99.26 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.704 -0.622 . . . . 0.0 109.324 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.42 -43.45 98.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.458 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.94 -45.31 86.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.341 -0.85 . . . . 0.0 109.934 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.46 -43.28 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 109.701 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.491 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 36.0 t -61.72 -49.63 75.67 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.302 -0.874 . . . . 0.0 109.906 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -63.93 -42.12 97.44 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.136 -0.977 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -67.74 -40.08 84.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.542 -0.723 . . . . 0.0 109.792 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.04 -47.9 83.56 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.402 -0.812 . . . . 0.0 110.122 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.431 HD12 HG22 ' A' ' 57' ' ' ILE . 97.0 mt -65.79 -45.83 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.131 -0.981 . . . . 0.0 110.261 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.599 HD21 ' CZ ' ' A' ' 83' ' ' ARG . 47.7 t30 -68.33 -40.6 81.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.231 -0.918 . . . . 0.0 110.439 -179.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.67 88.8 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.318 -0.864 . . . . 0.0 110.172 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -64.71 -39.66 94.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.107 -0.996 . . . . 0.0 110.012 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -74.28 -7.65 53.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.52 -0.738 . . . . 0.0 110.052 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.6 mmt-85 -120.65 -5.98 9.7 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.381 -0.824 . . . . 0.0 110.064 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -110.98 -58.95 2.03 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.282 -0.886 . . . . 0.0 110.36 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.42 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -47.98 -50.86 51.79 Favored Pre-proline 0 C--N 1.304 -1.403 0 O-C-N 121.261 -0.899 . . . . 0.0 110.138 -178.424 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 35.6 Cg_exo -53.78 -44.46 48.95 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 121.403 1.402 . . . . 0.0 111.53 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.44 -46.7 38.18 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.655 -0.653 . . . . 0.0 110.463 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 96.2 mmm -62.47 -44.26 96.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.255 -0.903 . . . . 0.0 109.503 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.12 -40.76 86.86 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.393 -0.817 . . . . 0.0 109.958 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -64.53 -43.31 94.41 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.178 -0.951 . . . . 0.0 109.817 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -59.49 -56.71 18.59 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.075 -1.016 . . . . 0.0 109.125 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 73' ' ' LYS . 63.2 t0 -178.69 69.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.86 -79.31 0.01 OUTLIER Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.777 -1.202 . . . . 0.0 110.326 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.8 pttp -137.17 97.76 3.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.307 -1.113 . . . . 0.0 108.391 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -118.67 119.54 32.54 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.589 -0.694 . . . . 0.0 109.25 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' A' ' 77' ' ' GLN . 60.7 Cg_endo -76.53 -87.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.794 1.662 . . . . 0.0 111.81 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.4 m120 41.0 -92.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 121.503 0.668 . . . . 0.0 110.418 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 75' ' ' PRO . 0.7 OUTLIER -96.2 125.38 40.68 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.358 -0.839 . . . . 0.0 109.826 -179.272 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -77.67 -95.0 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.523 -0.735 . . . . 0.0 110.281 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.53 ' OG1' ' NH1' ' A' ' 21' ' ' ARG . 18.9 m -87.44 127.14 35.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.892 . . . . 0.0 110.043 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 81' ' ' SER . 96.5 mt -98.06 3.04 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER 81.18 37.13 0.08 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.519 -0.738 . . . . 0.0 109.339 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -95.44 0.48 53.37 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.353 -0.842 . . . . 0.0 109.128 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.599 ' CZ ' HD21 ' A' ' 58' ' ' ASN . 60.0 ttt85 -63.68 138.32 58.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.209 -0.932 . . . . 0.0 110.32 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.54 88.75 1.61 Allowed Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.26 148.33 50.95 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -1.126 . . . . 0.0 110.243 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -87.7 29.41 0.9 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.33 -0.856 . . . . 0.0 109.102 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.3 pt -80.51 145.07 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.118 -0.989 . . . . 0.0 110.508 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m 62.92 91.52 0.07 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.596 -0.69 . . . . 0.0 109.935 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 117.942 -1.028 . . . . 0.0 109.469 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.36 0.55 88.9 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 4' ' ' HIS . 86.5 t60 -66.18 -43.05 87.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.419 -1.048 . . . . 0.0 109.544 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 3' ' ' HIS . 96.6 m-70 57.8 119.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.787 0.804 . . . . 0.0 110.03 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -81.49 -12.68 58.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.401 -0.812 . . . . 0.0 109.054 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 53.6 -170.42 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 122.042 0.925 . . . . 0.0 110.783 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 48.46 60.72 3.46 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.727 0.775 . . . . 0.0 109.615 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -156.56 156.96 34.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.5 -0.75 . . . . 0.0 109.751 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.4 m -158.87 93.01 1.14 Allowed 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.687 ' CD2' ' H ' ' A' ' 11' ' ' MET . 34.4 p-80 -82.17 -118.19 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.616 0.722 . . . . 0.0 109.86 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.687 ' H ' ' CD2' ' A' ' 10' ' ' HIS . 41.9 ttp 57.32 154.56 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.902 0.858 . . . . 0.0 110.251 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mt -54.31 150.44 16.4 Favored Pre-proline 0 N--CA 1.488 1.468 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.41 163.44 29.62 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.632 2.222 . . . . 0.0 112.843 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -58.97 -40.15 83.88 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.377 0.608 . . . . 0.0 109.531 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -56.95 -46.47 82.11 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.298 -0.876 . . . . 0.0 109.425 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -67.51 -36.46 81.09 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.355 -0.841 . . . . 0.0 109.457 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.78 -43.73 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.461 -0.775 . . . . 0.0 109.384 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -62.86 -43.11 99.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.407 -0.808 . . . . 0.0 109.37 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.96 -45.95 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.334 -0.854 . . . . 0.0 109.56 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.07 -40.05 82.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.534 -0.729 . . . . 0.0 109.714 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -62.12 -42.14 98.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.467 -0.771 . . . . 0.0 109.662 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.71 -45.05 95.62 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.473 -0.767 . . . . 0.0 109.379 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -65.46 -42.64 92.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.538 -0.726 . . . . 0.0 109.436 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.2 tp -67.92 -35.88 79.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.464 -0.773 . . . . 0.0 109.624 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -59.06 -48.54 81.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.424 -0.797 . . . . 0.0 109.672 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.18 -34.94 71.38 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.493 -0.754 . . . . 0.0 109.993 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.602 ' CE1' HH11 ' A' ' 83' ' ' ARG . 90.3 m-70 -105.9 38.26 2.05 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.329 -0.857 . . . . 0.0 109.091 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.583 HH21 ' HH ' ' A' ' 29' ' ' TYR . 32.2 ptt180 -60.89 -34.78 75.16 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.583 ' HH ' HH21 ' A' ' 28' ' ' ARG . 66.3 m-85 -61.55 -41.53 97.51 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -90.08 90.82 8.29 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.769 0.795 . . . . 0.0 109.119 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 32' ' ' TYR . . . -95.99 68.03 2.71 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.53 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 1.7 t80 165.57 94.49 0.02 OUTLIER Pre-proline 0 C--N 1.301 -1.516 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -81.49 144.49 14.28 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.634 2.223 . . . . 0.0 112.437 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -80.77 171.15 15.38 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.871 0.843 . . . . 0.0 110.652 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -53.21 -43.74 67.45 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.5 0.667 . . . . 0.0 109.821 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -66.66 -41.85 87.54 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.298 -0.876 . . . . 0.0 109.485 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -66.7 -38.57 87.02 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.462 -0.774 . . . . 0.0 109.441 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -63.59 -39.29 94.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.52 -0.738 . . . . 0.0 109.427 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.72 93.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.487 -0.758 . . . . 0.0 109.272 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.54 -44.8 93.14 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.468 -0.77 . . . . 0.0 109.604 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.19 -40.31 90.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.553 -0.717 . . . . 0.0 109.453 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.7 p -61.83 -39.47 91.92 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.431 -0.793 . . . . 0.0 109.498 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.502 ' N ' ' HG ' ' A' ' 42' ' ' SER . 58.7 tt0 -68.7 -36.56 78.64 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 121.713 0.768 . . . . 0.0 109.334 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -64.38 -38.63 91.71 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.621 0.725 . . . . 0.0 109.171 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.9 p -98.8 -8.73 25.42 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.338 -0.851 . . . . 0.0 108.912 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 42' ' ' SER . 27.6 m-70 64.91 5.73 3.03 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.577 0.703 . . . . 0.0 109.23 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.4 mt -85.57 160.47 19.63 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.861 0.839 . . . . 0.0 110.375 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.8 m -73.15 155.42 39.66 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.719 0.771 . . . . 0.0 110.214 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 p -64.23 -35.75 81.83 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.553 0.692 . . . . 0.0 109.421 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.42 -42.63 98.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.505 -0.747 . . . . 0.0 109.283 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -66.73 -41.59 87.63 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.514 -0.741 . . . . 0.0 109.444 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.97 -43.21 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 CA-C-O 121.583 0.706 . . . . 0.0 109.531 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.3 t -57.67 -47.63 81.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.47 -0.768 . . . . 0.0 109.889 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -64.05 -44.7 91.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.461 -0.775 . . . . 0.0 109.709 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -66.13 -38.92 89.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.509 -0.745 . . . . 0.0 109.541 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.11 -43.68 91.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.619 -0.676 . . . . 0.0 109.798 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.6 -46.29 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.339 -0.851 . . . . 0.0 109.727 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -70.01 -43.19 71.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.219 -0.926 . . . . 0.0 109.727 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.62 -36.61 84.82 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.426 -0.796 . . . . 0.0 109.308 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -66.88 -42.41 85.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.531 -0.731 . . . . 0.0 109.758 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -70.12 -16.52 63.12 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.455 -0.778 . . . . 0.0 110.292 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -107.82 -31.05 8.19 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.326 -0.859 . . . . 0.0 110.363 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.9 mt -94.82 -40.9 9.5 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.081 -1.012 . . . . 0.0 111.168 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.569 ' N ' ' HD2' ' A' ' 65' ' ' PRO . 6.4 tp -53.37 -50.01 85.12 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.181 -0.95 . . . . 0.0 110.836 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 64' ' ' LEU . 19.0 Cg_endo -58.12 -37.96 93.46 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.442 1.428 . . . . 0.0 111.997 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -69.47 -44.33 71.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.596 -0.69 . . . . 0.0 109.834 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 22.0 mmt -66.43 -40.93 89.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.607 -0.683 . . . . 0.0 109.447 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 72' ' ' GLY . 82.7 mt -64.73 -39.97 94.54 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.552 -0.717 . . . . 0.0 109.629 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -62.72 -40.79 98.29 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.355 -0.84 . . . . 0.0 109.48 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.51 -43.16 94.96 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.434 -0.791 . . . . 0.0 109.288 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.49 ' OD2' ' CZ ' ' A' ' 28' ' ' ARG . 97.7 m-20 -85.37 -76.68 0.31 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.364 -0.835 . . . . 0.0 109.564 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 68' ' ' LEU . . . -159.04 -110.96 0.29 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -162.63 127.12 3.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.383 -1.069 . . . . 0.0 109.779 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.77 151.7 40.12 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.528 -0.732 . . . . 0.0 109.937 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.84 -80.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.736 2.291 . . . . 0.0 112.42 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -84.44 140.85 31.22 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.966 0.888 . . . . 0.0 110.133 -179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -64.94 -31.13 72.22 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -94.5 119.57 33.4 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.292 -0.88 . . . . 0.0 109.597 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.5 p -81.27 167.78 19.17 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.89 0.852 . . . . 0.0 110.493 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.481 ' O ' ' CB ' ' A' ' 81' ' ' SER . 34.5 pt -82.6 -5.19 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.668 -0.645 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 80' ' ' ILE . 3.0 p 79.41 116.82 0.06 Allowed 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.665 0.745 . . . . 0.0 110.296 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -94.98 -15.9 23.18 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.602 HH11 ' CE1' ' A' ' 27' ' ' HIS . 84.5 mtp180 -126.54 11.74 7.39 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.48 45.09 0.62 Allowed Glycine 0 N--CA 1.498 2.817 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.453 ' H ' ' C ' ' A' ' 83' ' ' ARG . . . -65.07 145.95 55.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.417 -1.049 . . . . 0.0 110.11 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -80.06 155.38 27.59 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.696 0.76 . . . . 0.0 110.6 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 87' ' ' ILE . 1.9 mp -82.03 131.66 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 CA-C-O 121.862 0.839 . . . . 0.0 110.307 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.4 p -72.3 159.66 33.68 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.812 0.815 . . . . 0.0 110.374 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.158 -179.604 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 ttm . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.238 0.542 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.52 -61.91 0.34 Allowed Glycine 0 N--CA 1.489 2.214 0 N-CA-C 108.952 -1.659 . . . . 0.0 108.952 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.431 ' C ' ' HD1' ' A' ' 3' ' ' HIS . 5.4 t-80 45.36 68.75 0.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.499 -1.001 . . . . 0.0 109.616 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -132.64 120.0 21.18 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.682 -0.636 . . . . 0.0 109.289 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -96.49 -93.38 0.21 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 0.0 109.52 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -156.85 158.01 35.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 0.0 110.055 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -154.35 -46.26 0.09 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 44.43 85.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.586 -0.696 . . . . 0.0 109.677 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -72.59 143.24 48.3 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.602 0.715 . . . . 0.0 110.672 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -67.04 -40.47 87.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.661 -0.649 . . . . 0.0 109.869 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 tpt -51.56 143.51 12.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.515 -0.741 . . . . 0.0 110.252 -178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.19 155.39 84.27 Favored Pre-proline 0 N--CA 1.487 1.402 0 O-C-N 121.507 -0.746 . . . . 0.0 109.204 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.84 156.98 0.38 Allowed 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.911 1.741 . . . . 0.0 112.495 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -60.05 -43.35 95.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.453 -0.779 . . . . 0.0 109.49 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -66.58 -38.33 86.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.433 -0.792 . . . . 0.0 109.664 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -63.41 -41.12 98.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.17 -43.47 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.379 -0.826 . . . . 0.0 109.636 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.67 -45.14 94.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.374 -0.829 . . . . 0.0 110.002 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.86 -45.66 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.205 -0.935 . . . . 0.0 109.64 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.73 -40.85 88.54 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.445 -0.784 . . . . 0.0 109.228 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.85 -39.97 96.02 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' A' ' 81' ' ' SER . 62.8 t0 -58.52 -49.27 78.0 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.296 -0.877 . . . . 0.0 109.819 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.569 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 62.9 t-105 -62.8 -46.27 88.77 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.302 -0.874 . . . . 0.0 109.164 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.31 -41.0 98.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.464 -0.773 . . . . 0.0 108.946 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CD2' ' NH1' ' A' ' 28' ' ' ARG . 52.8 t80 -60.05 -47.38 86.1 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.765 -0.585 . . . . 0.0 110.089 -178.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.0 -21.79 65.93 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.411 -0.806 . . . . 0.0 110.098 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.569 ' CE1' ' CE2' ' A' ' 23' ' ' TRP . 1.4 m80 -88.64 -85.88 0.18 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.163 -0.961 . . . . 0.0 110.412 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.571 ' NH1' ' CD2' ' A' ' 25' ' ' TYR . 89.3 mtm-85 46.12 -173.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.605 -0.684 . . . . 0.0 110.449 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 50.02 -82.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.375 0.607 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' ARG . 93.3 m-20 -68.67 -66.87 0.52 Allowed 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.596 -0.69 . . . . 0.0 109.805 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 56.77 116.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.583 0.706 . . . . 0.0 110.269 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' SER . 7.3 p90 -152.93 66.04 5.94 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.34 -0.85 . . . . 0.0 109.212 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -45.02 84.32 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.624 2.216 . . . . 0.0 111.766 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' TYR . 11.4 p -81.24 168.95 17.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.433 -0.792 . . . . 0.0 110.538 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -62.78 -43.29 99.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.603 -0.686 . . . . 0.0 109.269 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -66.2 -39.86 89.97 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.415 -0.803 . . . . 0.0 109.473 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.518 ' CD ' ' HE1' ' A' ' 23' ' ' TRP . 80.4 tt0 -65.71 -46.07 80.37 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.282 -0.886 . . . . 0.0 109.611 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.37 -42.94 92.21 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.422 -0.799 . . . . 0.0 109.581 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.9 99.2 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.518 -0.739 . . . . 0.0 109.379 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.86 -44.97 91.52 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.414 -0.804 . . . . 0.0 109.966 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.94 -40.57 91.48 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.441 -0.787 . . . . 0.0 109.56 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.2 p -62.12 -36.31 81.38 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.439 -0.788 . . . . 0.0 109.527 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -66.61 -42.33 87.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.219 -0.926 . . . . 0.0 109.634 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.47 -39.05 85.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.501 -0.749 . . . . 0.0 109.853 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 47' ' ' LEU . 43.4 p -94.68 -4.56 47.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.337 -0.852 . . . . 0.0 109.088 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' SER . 86.4 t60 57.25 0.74 0.09 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.681 -0.637 . . . . 0.0 110.807 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 45' ' ' THR . 82.3 mt -77.49 157.99 30.17 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.85 -1.156 . . . . 0.0 109.899 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -68.06 158.68 32.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.497 -0.752 . . . . 0.0 111.132 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.7 p -65.56 -35.71 81.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.619 -0.676 . . . . 0.0 109.748 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.97 -42.08 99.73 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.278 -0.889 . . . . 0.0 109.291 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.39 -46.62 72.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.311 -0.868 . . . . 0.0 110.03 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.01 -42.9 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.237 -0.915 . . . . 0.0 109.209 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.11 -58.6 7.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.586 -0.696 . . . . 0.0 110.254 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.41 ' N ' HD21 ' A' ' 54' ' ' ASN . 2.3 m120 -61.52 -40.73 95.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.316 -0.865 . . . . 0.0 109.425 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -59.5 -38.01 79.79 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.4 -0.813 . . . . 0.0 109.417 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -45.27 95.28 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.847 . . . . 0.0 110.162 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.2 mp -62.2 -48.04 90.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.191 -0.943 . . . . 0.0 109.807 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -71.95 -46.21 58.29 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.252 -0.905 . . . . 0.0 110.218 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.01 85.81 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.542 -0.724 . . . . 0.0 110.32 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.6 ttm-85 -66.01 -43.26 88.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.031 -1.043 . . . . 0.0 109.992 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -73.69 -16.56 61.2 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.4 -0.812 . . . . 0.0 110.548 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -101.38 -43.96 5.78 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.256 -0.903 . . . . 0.0 109.95 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.97 -40.48 95.06 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.435 -0.79 . . . . 0.0 110.528 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 3.4 mt -55.68 -64.67 2.0 Allowed Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.037 -1.039 . . . . 0.0 111.024 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 9.8 Cg_endo -52.08 -46.1 34.67 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.88 1.72 . . . . 0.0 111.763 -178.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -71.45 -39.13 71.17 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.482 -0.761 . . . . 0.0 109.743 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.439 ' SD ' ' C ' ' A' ' 67' ' ' MET . 2.1 tmt? -64.42 -43.71 93.51 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.297 -0.877 . . . . 0.0 110.017 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.98 -43.73 94.87 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.292 -0.88 . . . . 0.0 109.727 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -73.24 -46.32 50.88 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.443 -0.785 . . . . 0.0 110.42 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.92 -43.33 88.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.334 -0.854 . . . . 0.0 109.395 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -84.58 -73.91 0.41 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.609 -0.682 . . . . 0.0 109.375 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.28 34.55 32.41 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.4 tttp 73.89 38.51 0.58 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.758 -0.848 . . . . 0.0 109.665 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.452 ' OD1' ' ND2' ' A' ' 76' ' ' ASN . 9.1 t70 -154.14 82.67 4.35 Favored Pre-proline 0 N--CA 1.49 1.534 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.434 ' O ' ' OD1' ' A' ' 76' ' ' ASN . 52.9 Cg_exo -54.34 138.37 72.94 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.61 2.207 . . . . 0.0 112.42 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.452 ' ND2' ' OD1' ' A' ' 74' ' ' ASP . 87.6 m-20 -154.12 -40.58 0.09 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.617 -0.677 . . . . 0.0 109.401 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.527 ' OE1' ' N ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -73.21 133.91 44.15 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 110.083 -179.22 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.527 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 75.6 m-85 -67.81 131.11 44.92 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.407 -0.808 . . . . 0.0 110.234 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 t -151.03 35.8 0.6 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.8 tt -80.43 135.9 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.475 -0.766 . . . . 0.0 109.507 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.541 ' N ' ' OD2' ' A' ' 22' ' ' ASP . 10.8 p -59.69 135.71 57.76 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.392 -0.818 . . . . 0.0 110.288 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -99.7 7.36 45.19 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.3 ptt85 -53.36 139.6 29.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.414 -0.804 . . . . 0.0 110.583 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -54.45 94.2 0.02 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.26 145.34 51.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.45 -1.029 . . . . 0.0 110.192 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -69.77 135.34 49.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.439 -0.788 . . . . 0.0 110.009 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -138.47 132.01 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.566 -0.709 . . . . 0.0 109.417 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.5 m -71.76 148.56 46.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.327 -0.858 . . . . 0.0 110.209 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.774 -179.841 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 ttp . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.42 -179.3 53.55 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -105.95 101.59 11.07 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.557 -0.966 . . . . 0.0 109.709 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -167.99 80.88 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.508 -0.745 . . . . 0.0 109.104 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -99.7 4.69 45.66 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -59.46 -41.3 89.38 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.397 -0.814 . . . . 0.0 109.45 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -148.91 154.9 40.1 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.893 -1.129 . . . . 0.0 109.632 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -116.71 145.28 43.57 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 121.839 0.828 . . . . 0.0 110.105 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m 63.24 -164.73 0.25 Allowed 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.911 0.862 . . . . 0.0 111.087 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -139.08 62.22 1.54 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.315 -0.866 . . . . 0.0 108.975 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 98.1 mmm -83.16 141.49 31.9 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.718 0.77 . . . . 0.0 110.048 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -84.23 169.06 18.03 Favored Pre-proline 0 C--N 1.304 -1.395 0 O-C-N 121.797 -0.565 . . . . 0.0 109.982 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.83 151.38 77.57 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.891 2.394 . . . . 0.0 113.011 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -55.47 -36.42 66.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.574 -0.704 . . . . 0.0 109.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.48 -46.4 90.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.263 -0.898 . . . . 0.0 109.46 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -64.61 -40.19 95.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.45 -0.781 . . . . 0.0 109.263 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.19 -43.86 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.443 -0.786 . . . . 0.0 109.287 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -62.53 -44.57 96.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 0.0 109.521 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.84 -45.54 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.311 -0.868 . . . . 0.0 109.681 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.9 -39.82 87.53 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.452 -0.78 . . . . 0.0 109.623 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.76 -42.57 97.7 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.522 -0.736 . . . . 0.0 109.592 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.31 -52.62 64.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.379 -0.826 . . . . 0.0 110.083 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.568 ' CE2' ' ND1' ' A' ' 27' ' ' HIS . 88.8 t90 -58.03 -40.91 82.04 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 25' ' ' TYR . 58.0 tp -73.28 -43.27 61.3 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 118.313 -1.355 . . . . 0.0 113.962 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.467 ' CE1' ' NH1' ' A' ' 28' ' ' ARG . 90.3 t80 -54.86 -51.24 66.53 Favored 'General case' 0 N--CA 1.533 3.721 0 O-C-N 116.567 -3.833 . . . . 0.0 108.342 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' OE2' ' CE1' ' A' ' 27' ' ' HIS . 12.7 pt-20 -61.94 -22.47 65.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.749 -1.219 . . . . 0.0 110.596 178.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.568 ' ND1' ' CE2' ' A' ' 23' ' ' TRP . 36.9 m80 -117.82 33.64 5.54 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.16 -0.963 . . . . 0.0 109.382 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' NH1' ' CE1' ' A' ' 25' ' ' TYR . 34.9 ptt180 -65.86 -38.07 87.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.398 -0.814 . . . . 0.0 109.315 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.42 ' OH ' ' OD1' ' A' ' 74' ' ' ASP . 73.1 t80 -91.69 -17.66 25.13 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.336 -0.853 . . . . 0.0 109.276 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 32' ' ' TYR . 82.9 m-20 -91.65 12.06 22.36 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.41 86.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.718 0.77 . . . . 0.0 109.754 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.549 ' N ' ' O ' ' A' ' 30' ' ' ASN . 56.3 m-85 -141.52 70.51 26.13 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -44.45 82.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.942 2.428 . . . . 0.0 111.892 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 32' ' ' TYR . 17.2 m -95.32 -174.28 3.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.366 -0.833 . . . . 0.0 110.255 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.54 -42.1 83.26 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.613 0.72 . . . . 0.0 110.29 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -79.56 -39.87 30.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.876 . . . . 0.0 109.768 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.565 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 12.6 mp0 -65.04 -49.01 71.8 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.318 -0.864 . . . . 0.0 109.911 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' A' ' 39' ' ' ALA . 18.4 ptmt -65.21 -40.04 93.62 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.314 -0.866 . . . . 0.0 109.398 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 38' ' ' LYS . . . -65.48 -37.78 87.83 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.625 0.726 . . . . 0.0 109.17 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.64 -46.59 87.55 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.869 0.842 . . . . 0.0 109.378 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.52 -43.96 95.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 0.0 109.903 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.4 m -64.73 -40.51 95.46 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.401 -0.812 . . . . 0.0 109.628 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -65.7 -40.19 92.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.374 -0.829 . . . . 0.0 109.514 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -64.88 -39.76 94.05 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.215 -0.928 . . . . 0.0 109.438 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -96.77 169.84 9.59 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.956 0.884 . . . . 0.0 109.758 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -99.64 28.58 4.58 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.6 mt -115.6 154.02 30.19 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.865 0.841 . . . . 0.0 109.955 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -72.03 166.0 23.11 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.79 0.805 . . . . 0.0 110.28 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.2 p -65.2 -32.01 73.48 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.663 0.744 . . . . 0.0 109.272 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 tp -62.94 -42.6 99.86 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.32 -0.863 . . . . 0.0 109.499 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -66.46 -42.14 88.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.44 -0.787 . . . . 0.0 109.778 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.67 -42.33 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.444 -0.785 . . . . 0.0 109.659 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.589 ' SG ' ' NH1' ' A' ' 82' ' ' ARG . 7.1 t -56.5 -45.75 80.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.26 -0.9 . . . . 0.0 109.898 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -63.9 -44.14 93.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 109.837 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -67.57 -40.43 84.89 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.396 -0.815 . . . . 0.0 110.066 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.07 -43.65 95.3 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.42 -0.8 . . . . 0.0 110.091 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.06 -45.27 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.23 -0.918 . . . . 0.0 110.015 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.567 ' ND2' ' NE ' ' A' ' 62' ' ' ARG . 1.4 t-20 -72.62 -46.02 56.19 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 122.049 0.928 . . . . 0.0 109.933 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.56 81.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.086 -1.009 . . . . 0.0 109.558 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.754 HH12 ' H ' ' A' ' 79' ' ' THR . 67.6 ttp85 -63.67 -57.68 9.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.374 -0.829 . . . . 0.0 109.908 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.46 -8.23 8.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.403 -0.81 . . . . 0.0 109.803 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.567 ' NE ' ' ND2' ' A' ' 58' ' ' ASN . 82.7 mtm180 -102.76 -25.63 13.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.449 -0.782 . . . . 0.0 109.481 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' LEU . 79.9 mt -101.21 -56.84 2.21 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.069 -1.02 . . . . 0.0 110.4 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.464 ' N ' ' HD2' ' A' ' 65' ' ' PRO . 4.0 mm? -39.72 -57.54 2.5 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.714 -0.616 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 64' ' ' LEU . 24.3 Cg_exo -38.65 -47.85 2.62 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 121.66 1.574 . . . . 0.0 111.551 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.3 -50.18 72.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.603 0.716 . . . . 0.0 109.902 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.577 ' SD ' ' N ' ' A' ' 67' ' ' MET . 1.9 mpp? -65.87 -42.71 90.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.21 -0.931 . . . . 0.0 109.854 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.01 -39.84 90.62 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 109.841 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -58.56 -41.32 85.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.313 -0.867 . . . . 0.0 108.738 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -62.15 -43.57 98.54 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.286 -0.884 . . . . 0.0 108.85 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -160.45 86.41 0.74 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.391 -0.818 . . . . 0.0 109.67 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.61 102.77 0.93 Allowed Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.986 -1.245 . . . . 0.0 109.986 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -70.52 -97.94 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.594 -0.945 . . . . 0.0 110.685 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.62 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -107.0 -40.42 0.15 Allowed Pre-proline 0 N--CA 1.499 1.995 0 O-C-N 121.586 -0.696 . . . . 0.0 110.486 -179.274 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 74' ' ' ASP . 74.4 Cg_endo -83.73 139.89 8.98 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 C-N-CA 122.54 2.16 . . . . 0.0 112.976 -177.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -94.29 -170.22 2.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.483 -0.761 . . . . 0.0 110.193 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -48.79 -87.73 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.524 0.678 . . . . 0.0 110.892 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -74.13 128.89 36.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.355 -0.841 . . . . 0.0 110.214 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.754 ' H ' HH12 ' A' ' 60' ' ' ARG . 21.9 p -84.24 166.74 17.26 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.751 0.786 . . . . 0.0 110.177 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 80' ' ' ILE . 17.6 mm -93.74 122.69 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-O 122.05 0.928 . . . . 0.0 110.159 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.735 ' HG ' ' H ' ' A' ' 82' ' ' ARG . 22.8 t 41.4 -160.71 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.868 0.842 . . . . 0.0 110.935 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.735 ' H ' ' HG ' ' A' ' 81' ' ' SER . 25.6 mmm180 -70.65 148.29 48.23 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.713 0.768 . . . . 0.0 110.06 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 82' ' ' ARG . 89.4 mtm-85 58.36 133.33 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.087 0.946 . . . . 0.0 110.645 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.45 -177.17 1.11 Allowed Glycine 0 N--CA 1.486 1.976 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.08 147.78 51.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.709 -0.877 . . . . 0.0 110.558 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -71.32 145.35 49.53 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.888 0.851 . . . . 0.0 110.649 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.7 mt -81.42 130.46 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 CA-C-O 121.842 0.829 . . . . 0.0 110.119 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.428 ' OG ' ' OE1' ' A' ' 89' ' ' GLU . 85.1 p -74.11 160.92 30.56 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.748 0.785 . . . . 0.0 110.6 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' OE1' ' OG ' ' A' ' 88' ' ' SER . 39.8 mp0 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.093 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.613 HD11 ' CD1' ' A' ' 55' ' ' TRP . 4.0 mt . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.19 154.03 36.39 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.47 2.113 . . . . 0.0 113.012 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -60.2 -39.1 85.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.552 -0.717 . . . . 0.0 109.739 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.72 -44.33 97.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.066 -1.021 . . . . 0.0 109.564 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -67.78 -37.9 82.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.259 -0.901 . . . . 0.0 109.566 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.28 -42.81 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.441 -0.787 . . . . 0.0 109.18 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -60.88 -49.76 76.16 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.224 -0.922 . . . . 0.0 109.666 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.52 -45.02 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.252 -0.905 . . . . 0.0 109.761 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.81 -42.53 94.93 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.781 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -66.58 -39.92 88.69 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.523 -0.736 . . . . 0.0 109.398 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -58.94 -44.25 91.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.387 -0.821 . . . . 0.0 109.379 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.526 ' CG ' HD21 ' A' ' 41' ' ' LEU . 75.2 t-105 -62.42 -47.12 85.48 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.346 -0.847 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.87 -43.31 96.46 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.427 -0.796 . . . . 0.0 109.464 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -61.19 -42.84 99.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.514 -0.741 . . . . 0.0 109.549 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.62 -33.66 69.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.443 -0.785 . . . . 0.0 109.892 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -118.9 57.83 0.86 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.429 0.633 . . . . 0.0 109.793 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -68.32 -37.94 81.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.566 -0.709 . . . . 0.0 109.502 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.517 ' C ' ' H ' ' A' ' 31' ' ' ALA . 36.0 m-85 -63.23 -72.09 0.15 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.531 -0.731 . . . . 0.0 110.189 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -71.78 33.68 0.06 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.506 -0.746 . . . . 0.0 109.75 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 29' ' ' TYR . . . -75.36 -7.59 54.4 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -52.85 153.44 5.93 Favored Pre-proline 0 C--N 1.305 -1.365 0 O-C-N 121.372 -0.83 . . . . 0.0 109.875 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.57 130.05 21.27 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.053 1.835 . . . . 0.0 112.85 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 p -156.62 141.49 17.06 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.511 -0.743 . . . . 0.0 109.402 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.98 -35.06 74.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.51 -0.744 . . . . 0.0 109.685 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.512 ' H ' ' CD ' ' A' ' 36' ' ' GLN . 28.1 mp0 -61.82 -43.33 99.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.357 -0.839 . . . . 0.0 109.697 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -68.1 -45.29 74.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.267 -0.895 . . . . 0.0 109.595 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -63.51 -42.79 98.47 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.395 -0.816 . . . . 0.0 109.674 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.99 -42.97 79.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.321 -0.862 . . . . 0.0 109.885 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.03 -46.34 84.87 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.258 -0.901 . . . . 0.0 109.965 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.526 HD21 ' CG ' ' A' ' 23' ' ' TRP . 98.2 mt -65.38 -39.56 92.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.455 -0.778 . . . . 0.0 109.447 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 t -59.72 -44.73 93.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.471 -0.768 . . . . 0.0 109.875 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.36 -40.07 85.76 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.178 -0.951 . . . . 0.0 109.435 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.33 -42.49 88.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.875 . . . . 0.0 109.925 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 p -91.4 167.66 12.11 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.188 -0.945 . . . . 0.0 109.91 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -97.16 16.04 20.93 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.44 159.42 14.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.427 -0.796 . . . . 0.0 110.081 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 p -75.55 167.16 22.42 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.721 0.772 . . . . 0.0 110.423 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.9 m -61.9 -42.65 99.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.601 -0.687 . . . . 0.0 109.702 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 50' ' ' LEU . 4.0 mm? -62.17 -42.81 99.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 0.0 109.83 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -64.61 -46.78 81.17 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.232 -0.918 . . . . 0.0 109.621 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.16 -43.46 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.321 -0.862 . . . . 0.0 109.715 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.9 t -62.34 -50.16 72.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 0.0 109.843 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -64.12 -41.95 97.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 0.0 109.154 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.613 ' CD1' HD11 ' A' ' 12' ' ' LEU . 75.4 t90 -65.49 -39.67 92.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.544 -0.723 . . . . 0.0 109.094 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.63 -44.26 97.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.419 -0.801 . . . . 0.0 109.517 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.49 -44.65 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 0.0 109.643 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.419 ' OD1' ' CZ ' ' A' ' 62' ' ' ARG . 4.0 t-20 -74.43 -51.68 14.22 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.359 -0.838 . . . . 0.0 110.09 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB2' ' CE2' ' A' ' 55' ' ' TRP . . . -58.59 -48.09 82.12 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.373 -0.829 . . . . 0.0 109.67 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -61.68 -43.34 99.05 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.44 -0.788 . . . . 0.0 109.478 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -65.66 -17.13 64.38 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.853 . . . . 0.0 110.26 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.419 ' CZ ' ' OD1' ' A' ' 58' ' ' ASN . 90.6 mtm180 -108.72 -17.61 13.91 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.393 -0.817 . . . . 0.0 110.371 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.5 mt -95.98 -44.23 7.45 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.126 -0.984 . . . . 0.0 110.984 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.501 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.1 tp -56.91 -45.69 99.93 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.156 -0.965 . . . . 0.0 111.054 -178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 32.4 Cg_exo . . . . . 0 C--N 1.306 -1.702 0 C-N-CA 121.432 1.421 . . . . 0.0 111.766 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 121.105 0.479 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' HG23 ' A' ' 17' ' ' VAL . 69.4 Cg_exo -50.37 146.03 19.86 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.502 2.135 . . . . 0.0 113.278 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.71 -43.2 94.22 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.435 0.636 . . . . 0.0 109.522 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.29 -45.91 91.15 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.124 -0.985 . . . . 0.0 109.612 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.4 p -69.1 -39.8 78.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.259 -0.901 . . . . 0.0 109.806 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 13' ' ' PRO . 49.9 t -65.16 -43.65 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.403 -0.811 . . . . 0.0 109.484 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -62.32 -43.34 99.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.44 -0.787 . . . . 0.0 109.713 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.89 -46.15 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.205 -0.934 . . . . 0.0 109.405 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.71 -41.88 87.26 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.382 -0.824 . . . . 0.0 109.39 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -64.59 -41.55 96.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.484 -0.76 . . . . 0.0 109.195 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.02 -40.42 95.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.412 -0.805 . . . . 0.0 109.145 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.571 ' CE3' HD21 ' A' ' 41' ' ' LEU . 45.4 t-105 -59.81 -47.82 84.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.909 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.83 -42.7 97.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.405 -0.809 . . . . 0.0 109.86 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -63.47 -39.1 93.55 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.297 -0.877 . . . . 0.0 109.433 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -65.48 -38.51 89.98 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.384 -0.822 . . . . 0.0 109.604 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -127.1 70.21 1.29 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.314 -0.866 . . . . 0.0 109.043 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -67.16 -39.21 86.47 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.573 -0.704 . . . . 0.0 109.596 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.412 ' C ' ' H ' ' A' ' 31' ' ' ALA . 71.5 m-85 -66.51 -34.0 76.95 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.363 -0.836 . . . . 0.0 109.75 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' A' ' 32' ' ' TYR . 62.3 t-20 -72.03 47.21 0.15 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 108.795 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 29' ' ' TYR . . . -72.08 36.98 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.588 0.709 . . . . 0.0 109.445 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.498 ' H ' ' C ' ' A' ' 30' ' ' ASN . 24.2 m-85 -136.91 76.3 46.63 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -58.67 146.47 91.8 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 123.183 2.589 . . . . 0.0 112.306 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.8 m -125.45 157.34 37.18 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.802 0.81 . . . . 0.0 110.024 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -52.26 -40.17 61.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.645 -0.659 . . . . 0.0 109.487 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -66.17 -40.57 90.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.392 -0.817 . . . . 0.0 109.087 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.484 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 79.7 tt0 -68.89 -40.65 79.08 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.387 -0.821 . . . . 0.0 109.688 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.52 -41.54 98.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.289 -0.882 . . . . 0.0 109.707 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.21 83.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.152 -0.968 . . . . 0.0 109.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -62.5 -48.38 79.8 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.905 . . . . 0.0 109.587 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.571 HD21 ' CE3' ' A' ' 23' ' ' TRP . 81.9 mt -68.2 -40.18 82.23 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.471 -0.768 . . . . 0.0 110.253 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' THR . 11.4 t -62.16 -41.21 98.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.345 -0.847 . . . . 0.0 109.739 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -64.06 -41.01 97.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 0.0 109.437 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -65.58 -42.83 91.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -0.878 . . . . 0.0 109.933 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' SER . 80.5 p -98.18 177.98 5.22 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 0.0 109.898 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -99.56 36.61 1.74 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.66 -0.65 . . . . 0.0 109.539 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -115.23 149.07 38.32 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.83 0.824 . . . . 0.0 110.008 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -80.71 173.46 12.59 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.845 0.831 . . . . 0.0 110.523 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -62.49 -44.0 97.45 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 121.598 0.713 . . . . 0.0 109.878 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.94 -42.48 99.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.913 . . . . 0.0 109.713 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -64.26 -44.88 90.4 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.364 -0.835 . . . . 0.0 109.632 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.37 -43.75 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.433 -0.792 . . . . 0.0 109.827 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.3 t -60.89 -42.65 98.4 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.2 -0.938 . . . . 0.0 109.548 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -64.81 -40.38 95.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.414 -0.804 . . . . 0.0 109.396 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.63 -40.46 97.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.525 -0.735 . . . . 0.0 109.569 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -61.52 -46.62 89.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.188 -0.945 . . . . 0.0 110.135 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.57 -48.82 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.26 -0.9 . . . . 0.0 110.499 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -75.15 -44.04 49.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.237 -0.915 . . . . 0.0 110.604 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.68 -51.75 38.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.319 -0.863 . . . . 0.0 111.151 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -60.99 -44.92 96.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.259 -0.901 . . . . 0.0 109.941 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -65.92 -35.79 81.59 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.307 -0.87 . . . . 0.0 110.01 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -87.02 -13.22 45.04 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.175 -0.953 . . . . 0.0 110.222 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.8 mt -98.77 -32.58 11.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.125 -0.984 . . . . 0.0 110.293 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -58.3 -48.47 96.94 Favored Pre-proline 0 C--N 1.297 -1.698 0 O-C-N 121.13 -0.981 . . . . 0.0 110.515 -179.294 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 37.7 Cg_exo . . . . . 0 C--N 1.306 -1.703 0 C-N-CA 121.601 1.534 . . . . 0.0 111.897 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.86 150.6 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.467 2.111 . . . . 0.0 113.246 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.15 -41.58 97.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.586 -0.696 . . . . 0.0 109.675 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.74 -48.74 78.77 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.141 -0.975 . . . . 0.0 109.396 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.1 m -62.2 -42.94 99.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.312 -0.868 . . . . 0.0 109.414 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.4 t -64.17 -44.04 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.832 . . . . 0.0 109.661 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.17 -46.03 90.76 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.29 -0.881 . . . . 0.0 110.013 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.21 -46.79 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.051 -1.031 . . . . 0.0 109.641 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.38 -41.48 89.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.4 -0.813 . . . . 0.0 109.657 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -62.66 -40.56 97.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.835 . . . . 0.0 109.343 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.2 -46.76 87.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.235 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.443 ' CD1' HD21 ' A' ' 41' ' ' LEU . 59.9 t-105 -61.4 -47.07 87.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.9 . . . . 0.0 109.157 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' ARG . 56.7 tp -63.2 -41.65 99.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.36 -0.837 . . . . 0.0 109.209 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -59.69 -47.3 86.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.455 -0.778 . . . . 0.0 109.514 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.89 -37.92 85.3 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.167 -0.958 . . . . 0.0 109.508 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -102.01 23.71 11.12 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.424 -0.798 . . . . 0.0 109.304 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 24' ' ' LEU . 39.4 ptt180 -50.58 -25.04 3.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 108.966 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -76.39 -97.38 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.484 -0.76 . . . . 0.0 109.63 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.16 113.01 19.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.834 . . . . 0.0 110.187 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.62 83.55 0.97 Allowed 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 3.1 p90 -97.57 151.88 37.87 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.29 -0.881 . . . . 0.0 109.649 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.42 125.58 14.17 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.185 1.923 . . . . 0.0 111.848 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.0 p -158.99 162.12 36.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.263 -0.898 . . . . 0.0 109.681 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -65.35 -35.92 82.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.276 -0.89 . . . . 0.0 109.471 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.54 -45.97 88.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.922 . . . . 0.0 109.779 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -68.04 -43.67 78.18 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.05 -1.031 . . . . 0.0 109.473 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.463 ' CE ' ' SG ' ' A' ' 53' ' ' CYS . 63.4 mttp -63.25 -42.23 99.14 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.177 -0.952 . . . . 0.0 109.347 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.2 98.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.346 -0.846 . . . . 0.0 110.03 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 40' ' ' LEU . 3.2 tt -63.05 -44.84 94.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.077 -1.014 . . . . 0.0 109.193 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 23' ' ' TRP . 92.9 mt -64.05 -40.52 96.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.679 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -59.81 -42.8 94.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 109.241 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.24 -40.45 97.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.905 . . . . 0.0 109.485 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.95 -41.14 91.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.099 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.2 p -106.82 -164.44 0.99 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.432 -0.793 . . . . 0.0 109.908 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -129.16 37.9 3.98 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.6 mt -111.28 150.98 28.86 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.554 -0.716 . . . . 0.0 109.86 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.4 p -72.73 167.91 19.85 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.548 0.689 . . . . 0.0 110.22 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.9 p -64.62 -32.38 74.01 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.485 -0.759 . . . . 0.0 109.797 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.83 -45.1 95.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.172 -0.955 . . . . 0.0 109.447 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -68.2 -41.54 81.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 0.0 109.863 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.4 t -64.13 -43.84 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.457 -0.777 . . . . 0.0 110.105 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.463 ' SG ' ' CE ' ' A' ' 38' ' ' LYS . 79.1 m -61.18 -52.08 66.34 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.135 -0.978 . . . . 0.0 110.042 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -64.78 -42.68 94.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.141 -0.974 . . . . 0.0 109.888 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -67.12 -41.42 86.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.0 110.145 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.07 -46.71 89.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.158 -0.964 . . . . 0.0 110.027 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.02 -45.11 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 109.894 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -72.32 -48.01 45.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.289 -0.882 . . . . 0.0 110.25 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.54 92.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.353 -0.842 . . . . 0.0 109.62 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -64.96 -42.13 94.87 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -0.871 . . . . 0.0 109.377 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -66.5 -19.06 65.69 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.182 -0.949 . . . . 0.0 109.852 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -105.6 -22.67 12.93 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.229 -0.919 . . . . 0.0 110.5 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.21 -28.07 12.13 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.133 -0.979 . . . . 0.0 110.806 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 6.0 tp -70.12 -36.31 6.03 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.02 -1.05 . . . . 0.0 110.982 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 36.1 Cg_exo . . . . . 0 N--CA 1.492 1.417 0 C-N-CA 121.525 1.483 . . . . 0.0 111.443 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD11 ' CD1' ' A' ' 55' ' ' TRP . 10.3 mt . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' O ' HG23 ' A' ' 17' ' ' VAL . 81.1 Cg_exo -44.05 162.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.482 2.121 . . . . 0.0 113.191 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -61.22 -41.98 97.8 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.615 -0.678 . . . . 0.0 110.033 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.12 -48.24 82.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.154 -0.966 . . . . 0.0 110.231 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -65.38 -41.28 93.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.143 -0.973 . . . . 0.0 109.639 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 13' ' ' PRO . 56.0 t -62.35 -44.55 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.385 -0.822 . . . . 0.0 109.205 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -62.92 -47.91 81.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.961 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.93 -47.04 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.038 -1.039 . . . . 0.0 109.866 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.53 -42.92 91.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.238 -0.914 . . . . 0.0 109.611 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -66.03 -38.87 89.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.489 -0.757 . . . . 0.0 109.479 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.5 -46.34 70.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.474 -0.766 . . . . 0.0 109.428 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -51.92 -55.55 19.51 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 0.0 109.894 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 24' ' ' LEU . 10.1 mp -62.95 -38.42 91.01 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.535 -0.728 . . . . 0.0 109.444 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.647 ' CD2' ' NH2' ' A' ' 28' ' ' ARG . 30.5 t80 -58.4 -42.04 86.24 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.302 -0.874 . . . . 0.0 109.161 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.91 -43.62 94.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 109.482 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.73 81.24 1.69 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.922 . . . . 0.0 109.019 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.647 ' NH2' ' CD2' ' A' ' 25' ' ' TYR . 83.3 mtt85 -61.42 -40.96 96.33 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.391 -0.818 . . . . 0.0 109.613 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -75.7 -77.18 0.13 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.506 -0.746 . . . . 0.0 110.207 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.74 62.62 0.27 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.369 -0.832 . . . . 0.0 109.781 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.4 -107.1 0.11 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.444 -0.785 . . . . 0.0 109.653 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CE2' ' NH1' ' A' ' 60' ' ' ARG . 25.7 m-85 41.64 68.75 2.4 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.711 -0.618 . . . . 0.0 110.187 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -59.82 144.24 99.48 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.637 2.225 . . . . 0.0 112.359 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 m -76.41 175.4 9.19 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.885 0.85 . . . . 0.0 110.527 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -58.93 -27.57 65.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.67 -0.643 . . . . 0.0 109.456 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.8 -41.78 97.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.314 -0.866 . . . . 0.0 109.79 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 55.4 mp0 -70.97 -38.12 72.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.848 . . . . 0.0 109.715 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.57 -45.43 94.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.103 -0.998 . . . . 0.0 109.764 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.71 -37.56 76.62 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.238 -0.914 . . . . 0.0 109.268 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.53 -44.93 92.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.382 -0.824 . . . . 0.0 109.597 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.45 -41.39 96.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.365 -0.834 . . . . 0.0 109.01 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -63.23 -35.68 81.14 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -71.18 -43.72 66.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.457 -0.777 . . . . 0.0 109.337 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.51 -43.52 85.06 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.354 -0.842 . . . . 0.0 109.803 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.6 p -95.14 168.86 10.49 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.258 -0.901 . . . . 0.0 109.682 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -93.15 10.42 31.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.614 -0.679 . . . . 0.0 109.4 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -90.69 155.28 18.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.248 -0.908 . . . . 0.0 109.982 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.6 p -76.6 165.93 24.1 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.908 0.861 . . . . 0.0 110.729 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 78.8 m -63.27 -42.4 99.12 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.492 0.663 . . . . 0.0 109.636 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.57 -42.04 95.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.201 -0.937 . . . . 0.0 109.454 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -63.15 -39.17 93.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 0.0 109.298 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.72 -44.08 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.893 . . . . 0.0 109.337 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -44.96 94.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.0 109.682 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -64.03 -41.52 97.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.384 -0.822 . . . . 0.0 109.261 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.513 ' CD1' HD11 ' A' ' 12' ' ' LEU . 72.1 t90 -66.41 -38.45 87.49 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.617 0.722 . . . . 0.0 109.257 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -60.71 -46.29 90.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.402 -0.811 . . . . 0.0 109.96 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.72 -49.59 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.271 -0.893 . . . . 0.0 110.125 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.646 HD21 ' NH2' ' A' ' 62' ' ' ARG . 27.0 t-20 -69.0 -42.24 76.73 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.305 -0.872 . . . . 0.0 110.253 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.488 ' CB ' ' CZ3' ' A' ' 55' ' ' TRP . . . -67.05 -39.18 86.88 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.432 -0.792 . . . . 0.0 110.181 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.603 ' NH1' ' CE2' ' A' ' 32' ' ' TYR . 62.5 ttp180 -64.68 -43.81 92.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 109.837 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -80.95 -10.35 59.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.481 -0.762 . . . . 0.0 110.249 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.646 ' NH2' HD21 ' A' ' 58' ' ' ASN . 44.9 ttm180 -103.65 -26.34 12.82 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.249 -0.907 . . . . 0.0 109.954 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.3 mt -87.19 -48.28 8.17 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.085 -1.009 . . . . 0.0 111.218 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.409 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.2 mp -49.21 -50.82 61.75 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.152 -0.967 . . . . 0.0 111.322 -178.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 32.3 Cg_exo . . . . . 0 C--N 1.303 -1.816 0 C-N-CA 121.534 1.49 . . . . 0.0 111.902 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.6 mt . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -43.57 146.43 1.34 Allowed 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.044 1.83 . . . . 0.0 112.69 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.95 -38.8 89.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.492 -0.755 . . . . 0.0 109.838 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -58.23 -48.17 81.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.248 -0.907 . . . . 0.0 109.838 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -65.45 -40.06 92.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 109.45 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.4 t -66.32 -42.4 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.485 -0.759 . . . . 0.0 109.645 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -56.68 -43.78 80.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.869 . . . . 0.0 109.748 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.55 -44.7 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.144 -0.973 . . . . 0.0 109.453 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.83 -42.24 90.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.365 -0.834 . . . . 0.0 109.96 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -65.72 -41.49 92.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 109.868 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -60.29 -36.13 77.16 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.345 -0.847 . . . . 0.0 109.399 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.529 ' CE2' ' OE2' ' A' ' 37' ' ' GLU . 49.7 t90 -60.51 -45.31 94.29 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.411 -0.806 . . . . 0.0 109.61 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ARG . 6.5 mp -65.3 -45.02 86.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 0.0 110.097 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -64.33 -44.94 89.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 109.415 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.91 -32.11 70.25 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.542 -0.724 . . . . 0.0 109.766 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -134.43 58.33 1.77 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.565 -0.709 . . . . 0.0 109.503 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 24' ' ' LEU . 37.7 ptt-85 -68.05 -41.3 82.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 109.207 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -70.15 -43.45 70.87 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.425 -0.797 . . . . 0.0 109.534 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -91.01 42.46 1.1 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.427 -0.796 . . . . 0.0 108.876 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' CB ' HH12 ' A' ' 60' ' ' ARG . . . -91.67 78.79 5.48 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.435 -0.791 . . . . 0.0 108.981 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 21.2 p90 -112.95 96.77 39.54 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.407 -0.808 . . . . 0.0 108.82 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -52.51 136.94 57.63 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.11 1.873 . . . . 0.0 112.65 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 p -159.13 163.89 35.72 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.413 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -68.12 -37.03 80.68 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.439 -0.788 . . . . 0.0 109.429 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 37' ' ' GLU . 16.9 pt20 -65.27 -42.12 93.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.244 -0.91 . . . . 0.0 109.638 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.529 ' OE2' ' CE2' ' A' ' 23' ' ' TRP . 47.0 tp10 -69.95 -47.16 63.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.48 -0.762 . . . . 0.0 109.629 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.35 -38.6 91.61 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.477 -0.764 . . . . 0.0 109.513 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.7 82.63 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.303 -0.873 . . . . 0.0 109.331 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.45 -43.56 97.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.297 -0.877 . . . . 0.0 109.29 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.0 -41.11 97.59 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.553 -0.717 . . . . 0.0 109.455 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 m -60.72 -37.04 80.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.381 -0.824 . . . . 0.0 109.674 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -65.04 -40.41 94.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.112 -0.993 . . . . 0.0 109.691 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -63.94 -40.58 96.78 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.406 -0.809 . . . . 0.0 110.081 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.6 p -100.09 169.9 8.85 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.351 -0.843 . . . . 0.0 109.781 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -99.54 31.7 3.07 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.8 mt -108.86 153.77 23.05 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.552 -0.717 . . . . 0.0 109.321 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.6 p -76.45 167.0 22.62 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.755 0.788 . . . . 0.0 111.214 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -62.41 -40.42 96.48 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.378 0.608 . . . . 0.0 109.788 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.35 -42.51 91.69 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.21 -0.931 . . . . 0.0 109.569 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -65.2 -41.99 93.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.17 -0.956 . . . . 0.0 109.863 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.35 -44.33 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 0.0 109.824 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.0 t -59.37 -43.04 92.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.162 -0.962 . . . . 0.0 109.843 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -64.03 -40.59 96.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.272 -0.893 . . . . 0.0 109.642 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -62.29 -41.59 98.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 0.0 109.972 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -62.82 -43.06 99.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.164 -0.96 . . . . 0.0 109.876 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.0 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.181 -0.949 . . . . 0.0 110.096 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -77.89 -49.95 13.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.03 -1.044 . . . . 0.0 110.341 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.51 86.76 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.496 -0.753 . . . . 0.0 110.231 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.517 HH12 ' CB ' ' A' ' 31' ' ' ALA . 64.5 ttm-85 -63.16 -42.45 99.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.157 -0.965 . . . . 0.0 109.748 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 tpt85 -65.42 -16.67 63.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.447 -0.783 . . . . 0.0 110.417 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -114.1 -6.63 13.08 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.301 -0.875 . . . . 0.0 110.182 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.9 mt -113.75 -61.98 1.66 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.158 -0.964 . . . . 0.0 111.013 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD23 ' HG3' ' A' ' 60' ' ' ARG . 1.2 mm? -43.68 -53.99 11.3 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.359 -0.838 . . . . 0.0 110.746 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.309 -1.508 0 C-N-CA 121.417 1.411 . . . . 0.0 111.804 -179.81 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.495 HD22 HD13 ' A' ' 47' ' ' LEU . 25.6 mt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . 49.1 Cg_endo -67.06 165.65 25.67 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.608 2.205 . . . . 0.0 112.744 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -59.55 -38.9 82.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.744 -0.598 . . . . 0.0 109.581 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -58.07 -54.52 45.97 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 109.466 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -62.89 -41.54 99.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 13' ' ' PRO . 71.8 t -63.93 -43.29 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.438 -0.788 . . . . 0.0 109.938 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -57.19 -46.38 82.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.088 -1.007 . . . . 0.0 109.82 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.67 -45.32 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.988 . . . . 0.0 109.773 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.45 -40.45 93.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.377 -0.827 . . . . 0.0 109.457 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.39 -42.98 97.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.366 -0.834 . . . . 0.0 109.559 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -59.06 -48.15 82.64 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.246 -0.909 . . . . 0.0 109.252 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -64.59 -41.33 96.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.359 -0.838 . . . . 0.0 109.657 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.09 -43.28 99.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.2 -0.937 . . . . 0.0 109.739 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.22 -44.83 96.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.885 . . . . 0.0 109.539 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.44 -37.82 83.59 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.299 -0.875 . . . . 0.0 109.812 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -100.02 24.23 8.83 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.355 -0.841 . . . . 0.0 109.155 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.07 -45.96 92.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.337 -0.852 . . . . 0.0 109.393 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -78.37 -34.2 48.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.47 -0.769 . . . . 0.0 109.687 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 31' ' ' ALA . 86.6 m-20 -94.59 20.2 8.82 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.426 -0.796 . . . . 0.0 109.243 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . -37.31 114.84 0.35 Allowed 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 121.346 0.594 . . . . 0.0 110.506 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.552 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 1.1 p90 -160.63 46.7 0.21 Allowed Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.353 -0.842 . . . . 0.0 109.599 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 32' ' ' TYR . 21.4 Cg_endo -60.27 82.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.266 1.978 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 p -89.64 -170.88 2.99 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.681 0.753 . . . . 0.0 110.451 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -58.39 -42.84 87.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.721 -0.612 . . . . 0.0 109.897 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -69.78 -41.63 74.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.157 -0.965 . . . . 0.0 110.086 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -65.51 -43.58 89.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.312 -0.867 . . . . 0.0 109.775 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.591 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 86.3 mttt -63.1 -40.74 98.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.289 -0.882 . . . . 0.0 109.726 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.3 97.19 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.042 -1.036 . . . . 0.0 109.605 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 40' ' ' LEU . 3.7 tt -63.0 -48.54 78.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.261 -0.899 . . . . 0.0 109.349 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.2 -41.28 94.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.667 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' HIS . 67.4 m -59.97 -41.96 93.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.325 -0.859 . . . . 0.0 109.645 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -65.04 -39.37 93.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 0.0 109.694 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.01 -39.82 94.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.8 p -93.32 -6.47 47.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.279 -0.888 . . . . 0.0 108.787 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 42' ' ' SER . 54.5 t-80 59.47 20.97 9.38 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.495 HD13 HD22 ' A' ' 12' ' ' LEU . 93.3 mt -94.73 164.39 12.96 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.292 -0.88 . . . . 0.0 109.744 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -75.86 154.63 35.97 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.47 -0.769 . . . . 0.0 110.157 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 m -62.09 -41.03 97.77 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.494 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -60.63 -42.96 97.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.388 -0.82 . . . . 0.0 108.982 -178.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.04 -40.94 99.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.83 -43.92 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 0.0 109.63 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.591 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 1.1 t -55.99 -52.28 64.74 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.274 -0.891 . . . . 0.0 109.959 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.44 -41.53 98.66 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.848 . . . . 0.0 109.473 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.65 -41.83 95.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.94 -43.22 98.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.888 . . . . 0.0 110.025 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.31 -49.99 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.166 -0.959 . . . . 0.0 110.311 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.629 ' ND2' ' N ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -77.62 -40.92 40.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.979 -1.076 . . . . 0.0 109.795 -179.306 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.629 ' N ' ' ND2' ' A' ' 58' ' ' ASN . . . -59.26 -48.16 82.67 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.33 -0.857 . . . . 0.0 109.495 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -62.7 -44.62 95.77 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.275 -0.891 . . . . 0.0 109.806 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -68.19 -10.17 52.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 0.0 109.973 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -108.17 -26.63 10.5 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.435 -0.79 . . . . 0.0 110.223 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' LEU . 94.8 mt -96.72 -62.76 1.22 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.114 -0.991 . . . . 0.0 111.349 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -39.78 -59.51 1.69 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.626 -0.671 . . . . 0.0 111.517 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo . . . . . 0 C--N 1.314 -1.281 0 C-N-CA 121.823 1.682 . . . . 0.0 112.562 -179.332 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.76 151.44 19.61 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 C-N-CA 122.582 2.188 . . . . 0.0 113.299 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.21 -37.3 79.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.787 -0.57 . . . . 0.0 109.537 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.82 -51.21 70.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.297 -0.877 . . . . 0.0 109.772 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.8 m -63.23 -42.83 99.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.87 . . . . 0.0 109.7 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.5 t -64.76 -42.33 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.629 -0.669 . . . . 0.0 109.616 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -55.65 -47.2 77.07 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.917 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.1 -44.81 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.234 -0.916 . . . . 0.0 109.863 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.57 -42.56 95.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.421 -0.799 . . . . 0.0 109.94 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -66.69 -41.59 87.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.369 -0.832 . . . . 0.0 109.435 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.12 -47.48 85.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 0.0 109.745 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.62 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 70.6 t-105 -64.03 -47.62 79.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.41 -0.806 . . . . 0.0 109.815 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.62 -40.38 95.38 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.347 -0.846 . . . . 0.0 109.72 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.471 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 86.9 t80 -58.91 -43.77 91.15 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.429 -0.794 . . . . 0.0 109.887 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.38 -37.14 82.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.191 -0.943 . . . . 0.0 109.683 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.62 ' CE1' ' CE2' ' A' ' 23' ' ' TRP . 46.6 m80 -81.04 -69.38 0.61 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.325 -0.859 . . . . 0.0 109.985 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' NE ' ' O ' ' A' ' 25' ' ' TYR . 83.5 mtm180 54.97 -76.61 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.596 -0.69 . . . . 0.0 110.627 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.578 ' N ' ' O ' ' A' ' 27' ' ' HIS . 98.2 m-85 -59.86 -43.93 94.4 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.195 -0.941 . . . . 0.0 110.081 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ALA . 98.8 m-20 -83.46 -106.09 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 0.0 110.083 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . 41.39 45.78 2.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.687 -0.633 . . . . 0.0 109.447 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -90.7 146.33 33.9 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.461 -0.775 . . . . 0.0 109.417 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -37.21 108.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.659 2.239 . . . . 0.0 112.822 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.5 p -151.73 140.15 20.52 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 109.635 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.12 -34.98 75.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.458 -0.776 . . . . 0.0 109.442 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -62.29 -42.38 99.3 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.477 -0.764 . . . . 0.0 109.657 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.22 -44.25 79.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.357 -0.839 . . . . 0.0 109.731 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.557 ' CE ' ' SG ' ' A' ' 53' ' ' CYS . 54.7 mtpt -64.56 -40.54 95.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.476 -0.765 . . . . 0.0 109.555 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.59 95.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.432 -0.792 . . . . 0.0 109.904 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 40' ' ' LEU . 1.5 tt -63.46 -55.85 20.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 109.588 -179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.0 mp -64.08 -41.5 97.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.428 -0.795 . . . . 0.0 110.138 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -60.31 -43.62 96.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.223 -0.923 . . . . 0.0 109.44 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -75.82 -34.31 60.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.282 -0.886 . . . . 0.0 109.458 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.02 -40.31 94.67 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.396 -0.815 . . . . 0.0 109.491 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.6 p -98.96 165.41 11.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.349 -0.844 . . . . 0.0 109.408 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 46' ' ' HIS . 86.4 t60 -89.96 26.19 1.9 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.625 -0.672 . . . . 0.0 109.406 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.0 mt -109.74 149.68 29.43 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.328 -0.857 . . . . 0.0 109.8 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.0 m -73.34 161.17 30.78 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.705 0.764 . . . . 0.0 110.388 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.466 ' O ' ' SG ' ' A' ' 53' ' ' CYS . 10.7 m -61.72 -40.8 96.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.632 -0.668 . . . . 0.0 109.67 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 50' ' ' LEU . 4.5 tt -59.02 -45.39 90.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.167 -0.958 . . . . 0.0 109.495 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.19 -41.88 99.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 109.489 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.82 -41.86 91.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.355 -0.841 . . . . 0.0 109.528 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.557 ' SG ' ' CE ' ' A' ' 38' ' ' LYS . 75.2 m -53.46 -50.54 65.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 110.055 -179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.584 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 83.4 m-20 -63.62 -42.77 98.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.288 -0.882 . . . . 0.0 109.484 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.704 ' HA ' HD22 ' A' ' 58' ' ' ASN . 84.2 t90 -63.86 -40.53 96.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.55 -0.719 . . . . 0.0 109.726 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -62.13 -42.81 99.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.477 -0.764 . . . . 0.0 110.191 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.47 -48.02 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.334 -0.854 . . . . 0.0 110.274 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.704 HD22 ' HA ' ' A' ' 55' ' ' TRP . 10.8 p30 -78.2 -41.17 35.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.186 -0.947 . . . . 0.0 109.801 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' A' ' 58' ' ' ASN . . . -60.53 -48.21 82.77 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.442 -0.787 . . . . 0.0 110.124 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -65.54 -42.51 91.85 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.354 -0.841 . . . . 0.0 109.517 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -73.86 -4.59 35.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.554 -0.717 . . . . 0.0 109.951 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -118.05 -18.58 9.38 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.453 -0.78 . . . . 0.0 109.776 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.9 mt -102.31 -59.12 1.76 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.107 -0.996 . . . . 0.0 111.332 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mp -47.71 -51.7 43.77 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.284 -0.885 . . . . 0.0 111.171 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 C--N 1.31 -1.464 0 C-N-CA 121.42 1.413 . . . . 0.0 112.332 -178.498 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -48.69 151.63 5.01 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.146 1.897 . . . . 0.0 112.47 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -61.98 -40.51 95.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.609 -0.682 . . . . 0.0 109.636 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.07 -51.67 62.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.498 -0.751 . . . . 0.0 110.076 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -63.19 -42.17 99.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.449 -0.782 . . . . 0.0 110.11 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.04 -44.59 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.507 -0.746 . . . . 0.0 109.908 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -55.61 -44.63 77.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.46 -0.775 . . . . 0.0 109.964 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.58 -43.5 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.266 -0.896 . . . . 0.0 109.476 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.08 -41.29 97.37 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.446 -0.784 . . . . 0.0 109.935 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -62.72 -40.04 95.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.522 -0.736 . . . . 0.0 109.726 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.5 -41.72 98.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.359 -0.838 . . . . 0.0 109.697 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.625 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.8 t-105 -66.98 -41.25 87.12 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.643 0.735 . . . . 0.0 109.57 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -63.34 -43.2 98.4 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.618 0.723 . . . . 0.0 109.955 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.16 -42.62 99.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.447 -0.783 . . . . 0.0 109.878 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.14 -39.59 78.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.493 -0.754 . . . . 0.0 110.059 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.625 ' CD2' ' CE2' ' A' ' 23' ' ' TRP . 95.7 m-70 -95.2 27.96 3.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.362 -0.836 . . . . 0.0 109.121 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -67.78 -37.71 82.41 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.581 0.705 . . . . 0.0 109.637 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.64 -9.96 56.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.389 -0.819 . . . . 0.0 109.398 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 31' ' ' ALA . 96.4 m-20 -93.96 -58.89 2.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.45 -0.781 . . . . 0.0 109.162 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 40.99 96.45 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.784 0.802 . . . . 0.0 110.378 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 11.8 p90 -159.27 70.82 3.43 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.548 -0.72 . . . . 0.0 109.554 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.94 135.43 68.38 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.891 2.394 . . . . 0.0 112.516 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.6 m -163.03 173.75 13.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.537 -0.727 . . . . 0.0 110.179 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -63.22 -42.11 99.21 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.55 0.691 . . . . 0.0 109.432 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -68.27 -41.46 81.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.544 -0.723 . . . . 0.0 109.47 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -67.49 -49.19 64.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.382 -0.824 . . . . 0.0 109.815 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -65.85 -40.34 91.63 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.395 -0.816 . . . . 0.0 109.483 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.24 93.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.519 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 40' ' ' LEU . 3.4 tt -63.33 -46.55 86.09 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.925 0.869 . . . . 0.0 109.226 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.64 -40.21 95.06 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.446 -0.784 . . . . 0.0 109.557 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.1 p -62.11 -38.82 90.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.564 -0.71 . . . . 0.0 109.56 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -66.64 -39.55 88.31 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.648 0.737 . . . . 0.0 109.831 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.32 -43.89 93.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.355 -0.841 . . . . 0.0 110.053 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.9 p -99.51 169.23 9.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 110.136 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -95.93 31.44 2.12 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.1 mt -110.96 154.07 24.63 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.722 0.772 . . . . 0.0 109.846 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.8 p -75.81 166.37 23.63 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.866 0.841 . . . . 0.0 110.411 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.9 m -62.78 -42.94 99.92 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.746 0.784 . . . . 0.0 109.676 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.73 -42.06 98.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.567 -0.708 . . . . 0.0 110.087 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -64.15 -45.92 86.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.389 -0.819 . . . . 0.0 109.882 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.11 -43.11 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-O 121.534 0.683 . . . . 0.0 110.01 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 t -60.81 -44.75 96.46 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.367 -0.833 . . . . 0.0 110.515 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -63.98 -43.3 96.15 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.35 -0.844 . . . . 0.0 109.384 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -68.49 -38.36 80.92 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.801 0.81 . . . . 0.0 109.109 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -59.71 -44.45 93.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.595 -0.69 . . . . 0.0 109.883 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.29 -45.77 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.399 -0.813 . . . . 0.0 109.684 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -70.32 -46.34 64.4 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.345 -0.847 . . . . 0.0 109.907 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.51 87.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.51 -0.744 . . . . 0.0 110.036 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.4 ' O ' ' CB ' ' A' ' 64' ' ' LEU . 73.8 ttp85 -64.7 -43.86 92.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.497 -0.752 . . . . 0.0 109.847 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -70.22 -12.65 61.74 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.195 -0.94 . . . . 0.0 110.281 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -108.29 -23.57 11.86 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.37 -0.831 . . . . 0.0 109.866 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.6 mt -105.73 -26.62 11.72 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.167 -0.958 . . . . 0.0 110.647 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 6.4 tp -72.64 -35.21 2.94 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.207 -0.933 . . . . 0.0 111.482 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 21.7 Cg_exo . . . . . 0 N--CA 1.493 1.485 0 C-N-CA 121.767 1.645 . . . . 0.0 111.931 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.503 HD21 ' NE2' ' A' ' 51' ' ' GLN . 40.3 mt . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -65.67 160.84 41.5 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.458 2.105 . . . . 0.0 112.514 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.05 -35.58 75.44 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.343 -0.848 . . . . 0.0 109.454 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -62.27 -55.56 27.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 109.777 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -64.12 -41.98 97.04 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 109.629 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.5 -42.84 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 109.13 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -54.79 -43.34 72.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.247 -0.908 . . . . 0.0 109.478 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.04 -46.29 94.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.09 -1.006 . . . . 0.0 109.49 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.54 -41.89 88.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.306 -0.871 . . . . 0.0 110.045 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -63.72 -40.99 98.12 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.437 -0.79 . . . . 0.0 109.526 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.97 -48.19 82.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.811 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -63.84 -45.83 87.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.143 -0.973 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.68 -41.1 98.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 0.0 109.261 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.603 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 61.1 t80 -59.52 -45.01 92.97 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.377 -0.827 . . . . 0.0 109.55 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.26 -38.29 90.57 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.378 -0.826 . . . . 0.0 109.725 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -121.26 54.8 1.09 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.603 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 19.6 ptp180 -64.55 -40.29 95.31 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.491 -0.756 . . . . 0.0 109.473 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -72.23 -77.79 0.09 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.334 -0.854 . . . . 0.0 110.231 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -76.72 93.53 3.68 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.242 -0.911 . . . . 0.0 109.177 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' TYR . . . -89.12 -75.16 0.45 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.493 -0.755 . . . . 0.0 109.439 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' ALA . 72.7 m-85 39.08 75.26 0.58 Allowed Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.946 -0.471 . . . . 0.0 109.994 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -78.03 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.42 2.08 . . . . 0.0 111.599 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 p -79.94 169.56 17.72 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.38 -0.825 . . . . 0.0 110.749 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.41 -38.95 85.62 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.424 0.63 . . . . 0.0 109.734 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -71.81 -39.88 69.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.931 . . . . 0.0 109.913 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.5 -50.57 70.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.243 -0.911 . . . . 0.0 110.107 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -66.07 -31.19 71.92 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.217 -0.927 . . . . 0.0 109.431 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.49 89.86 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.302 -0.873 . . . . 0.0 109.379 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.88 -46.44 84.91 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 109.939 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.82 -36.57 82.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.286 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 46' ' ' HIS . 40.5 t -59.85 -42.64 94.06 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.368 -0.832 . . . . 0.0 109.392 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.21 -38.31 90.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.235 -0.915 . . . . 0.0 109.246 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -64.77 -40.34 95.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.309 -0.87 . . . . 0.0 109.653 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.2 p -95.49 -5.88 41.91 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.222 -0.924 . . . . 0.0 108.667 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' SER . 86.1 t60 57.02 22.84 7.71 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.691 -0.63 . . . . 0.0 109.687 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.5 mt -88.78 167.96 12.86 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.316 -0.865 . . . . 0.0 110.317 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 52' ' ' VAL . 15.8 p -76.0 154.4 35.8 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.418 -0.801 . . . . 0.0 110.613 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.9 m -62.89 -44.06 97.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.34 -0.85 . . . . 0.0 109.121 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.52 -42.93 99.84 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.398 -0.814 . . . . 0.0 109.648 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.503 ' NE2' HD21 ' A' ' 12' ' ' LEU . 64.9 tt0 -65.03 -40.96 95.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.404 -0.81 . . . . 0.0 109.847 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 48' ' ' SER . 62.2 t -64.3 -45.81 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.149 -0.969 . . . . 0.0 109.933 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.1 t -61.04 -48.63 80.88 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.222 -0.924 . . . . 0.0 110.054 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -63.4 -39.8 95.49 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.301 -0.874 . . . . 0.0 109.689 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -60.62 -40.08 90.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.847 . . . . 0.0 109.745 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.34 -45.69 93.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.168 -0.958 . . . . 0.0 109.793 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.87 -51.56 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.934 -1.104 . . . . 0.0 110.356 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -69.87 -42.12 73.91 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.101 -0.999 . . . . 0.0 110.2 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.24 92.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.261 -0.899 . . . . 0.0 109.778 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HG2' HD23 ' A' ' 64' ' ' LEU . 36.7 mtp180 -62.57 -45.87 90.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.243 -0.91 . . . . 0.0 109.898 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -62.99 -18.89 63.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.135 -0.978 . . . . 0.0 110.341 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -109.51 -9.77 14.9 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.457 -0.777 . . . . 0.0 110.186 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 64' ' ' LEU . 90.0 mt -114.09 -63.87 1.39 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.33 -0.856 . . . . 0.0 111.128 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.581 HD23 ' HG2' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -39.04 -55.04 3.06 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.712 -0.617 . . . . 0.0 111.042 -177.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--N 1.306 -1.698 0 C-N-CA 120.934 1.089 . . . . 0.0 111.437 179.718 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.556 HD11 ' CG ' ' A' ' 55' ' ' TRP . 3.8 mt . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -55.1 146.22 60.19 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.837 1.691 . . . . 0.0 112.39 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -49.67 -33.33 15.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.346 -0.846 . . . . 0.0 109.844 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -65.01 -48.37 74.14 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.293 -0.88 . . . . 0.0 109.94 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.7 p -70.24 -32.62 70.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.129 -0.982 . . . . 0.0 109.76 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.79 -44.35 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.104 -0.998 . . . . 0.0 109.175 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.34 -46.04 88.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.199 -0.938 . . . . 0.0 109.367 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.72 -47.58 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.293 -0.879 . . . . 0.0 109.805 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.408 HD23 HD23 ' A' ' 41' ' ' LEU . 79.1 mt -67.2 -42.25 84.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -0.865 . . . . 0.0 110.096 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.525 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 58.8 ttt85 -66.45 -42.2 87.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.352 -0.842 . . . . 0.0 109.687 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.5 -47.07 87.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.355 -0.841 . . . . 0.0 110.114 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.452 ' CD1' HD11 ' A' ' 41' ' ' LEU . 86.0 t90 -57.78 -43.16 85.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 109.709 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.28 -41.57 99.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.0 109.547 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.525 ' OH ' ' NH2' ' A' ' 21' ' ' ARG . 3.8 m-85 -62.03 -34.09 75.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.515 -0.741 . . . . 0.0 109.462 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.96 -37.43 81.56 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.328 -0.858 . . . . 0.0 110.169 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -125.45 66.37 1.15 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.501 -0.749 . . . . 0.0 109.426 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' ASN . 79.9 mtp85 -73.53 155.87 38.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.444 -0.785 . . . . 0.0 110.414 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.8 t80 67.19 -63.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.859 0 CA-C-O 121.272 0.558 . . . . 0.0 109.815 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ARG . 53.2 t30 -82.4 98.47 8.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.085 -1.009 . . . . 0.0 109.835 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.35 66.34 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.149 -0.969 . . . . 0.0 108.445 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -76.66 155.59 83.29 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 109.625 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.28 128.87 24.07 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.868 1.712 . . . . 0.0 112.558 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -157.62 142.03 16.3 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.266 -0.896 . . . . 0.0 109.714 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.8 -36.31 78.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.565 -0.709 . . . . 0.0 109.582 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' O ' ' OE1' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -62.82 -47.54 82.99 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.179 -0.951 . . . . 0.0 109.85 -179.416 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.576 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 36.0 mp0 -68.66 -48.07 64.93 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.246 -0.909 . . . . 0.0 109.88 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.16 -40.14 96.69 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.109 -0.995 . . . . 0.0 109.414 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.77 83.94 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.229 -0.919 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 40' ' ' LEU . 2.9 tt -62.59 -50.84 69.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -0.848 . . . . 0.0 109.65 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 23' ' ' TRP . 10.1 mp -64.76 -39.46 93.66 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.389 -0.819 . . . . 0.0 109.714 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 98.3 p -58.33 -37.78 75.81 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.251 -0.906 . . . . 0.0 109.395 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -68.53 -40.85 80.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.35 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -66.27 -46.16 77.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.375 -0.828 . . . . 0.0 109.804 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.5 p -91.25 168.82 11.32 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.316 -0.865 . . . . 0.0 109.216 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -99.27 12.33 36.54 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.431 HD13 ' NE2' ' A' ' 51' ' ' GLN . 82.5 mt -87.21 155.67 19.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 0.0 110.085 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 52' ' ' VAL . 92.4 p -75.73 160.79 29.66 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.823 0.82 . . . . 0.0 110.522 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 m -63.4 -42.9 98.79 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.0 109.363 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.6 tp -61.44 -44.44 97.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.306 -0.871 . . . . 0.0 109.492 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.431 ' NE2' HD13 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -66.1 -41.9 90.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.416 -0.803 . . . . 0.0 109.45 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 48' ' ' SER . 57.2 t -65.58 -43.04 94.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.638 -0.664 . . . . 0.0 109.354 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -56.87 -44.03 81.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.327 -0.858 . . . . 0.0 109.722 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -63.81 -43.92 94.83 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.319 -0.863 . . . . 0.0 109.823 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.556 ' CG ' HD11 ' A' ' 12' ' ' LEU . 81.6 t90 -70.37 -38.43 74.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 0.0 109.801 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -59.85 -46.41 89.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.869 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.77 -45.58 94.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.125 -0.985 . . . . 0.0 109.757 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -67.81 -40.37 83.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.352 -0.842 . . . . 0.0 109.862 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.24 86.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.426 -0.796 . . . . 0.0 110.365 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -62.71 -44.85 95.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.176 -0.953 . . . . 0.0 110.274 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -67.82 -17.1 64.4 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.223 -0.923 . . . . 0.0 110.171 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 tpt85 -104.35 -21.94 13.42 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.442 -0.786 . . . . 0.0 110.092 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' LEU . 82.9 mt -95.77 -66.12 0.93 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.19 -0.944 . . . . 0.0 111.019 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 6.1 mp -36.58 -64.27 0.39 Allowed Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 121.759 -0.588 . . . . 0.0 111.27 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 16.1 Cg_endo . . . . . 0 C--N 1.306 -1.672 0 C-N-CA 121.893 1.729 . . . . 0.0 112.32 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.8 147.39 95.34 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 122.733 2.289 . . . . 0.0 112.995 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -62.7 -40.3 96.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.67 -0.644 . . . . 0.0 109.783 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.72 -46.26 90.4 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.067 -1.021 . . . . 0.0 109.743 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -63.06 -43.21 99.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.13 -0.981 . . . . 0.0 109.654 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.7 t -66.25 -43.09 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.465 -0.772 . . . . 0.0 109.584 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -60.97 -44.64 97.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.844 . . . . 0.0 109.49 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.67 -45.35 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.139 -0.975 . . . . 0.0 109.659 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.485 HD23 HD22 ' A' ' 41' ' ' LEU . 13.3 mt -65.58 -41.68 92.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.424 -0.798 . . . . 0.0 109.894 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -62.99 -43.69 98.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.16 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -63.38 -47.59 81.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.497 -0.752 . . . . 0.0 109.689 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -62.0 -50.32 72.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.847 . . . . 0.0 109.568 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' ARG . 51.7 tp -64.39 -42.42 96.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.293 -0.879 . . . . 0.0 109.687 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -60.69 -48.1 83.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.399 -0.813 . . . . 0.0 109.665 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.17 -38.55 85.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.399 -0.813 . . . . 0.0 109.553 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -103.71 30.82 4.8 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.627 ' O ' HD11 ' A' ' 64' ' ' LEU . 50.4 ptt85 -61.74 -38.8 89.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.647 -0.658 . . . . 0.0 109.819 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -73.69 -16.56 61.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.275 -0.89 . . . . 0.0 109.609 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' ALA . 34.6 t30 -120.83 -97.92 0.45 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.695 -0.628 . . . . 0.0 109.691 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . 39.52 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.785 -0.572 . . . . 0.0 110.2 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.437 ' C ' ' H ' ' A' ' 34' ' ' SER . 5.6 m-85 -99.78 154.34 37.3 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.433 -0.792 . . . . 0.0 109.533 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.94 26.33 0.21 Allowed 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.783 2.322 . . . . 0.0 111.437 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 32' ' ' TYR . 17.5 m -71.47 154.07 41.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 0.0 110.518 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.58 -34.08 77.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.466 -0.771 . . . . 0.0 109.944 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.17 -44.24 92.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.127 -0.983 . . . . 0.0 109.405 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -68.72 -38.58 80.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.304 -0.872 . . . . 0.0 109.504 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -64.29 -40.54 96.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.23 -0.919 . . . . 0.0 109.46 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.41 94.96 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.223 -0.923 . . . . 0.0 108.955 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 40' ' ' LEU . 2.9 tt -63.3 -43.68 97.17 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 122.052 0.93 . . . . 0.0 108.86 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.485 HD22 HD23 ' A' ' 20' ' ' LEU . 97.9 mt -70.7 -40.37 72.91 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.116 -0.99 . . . . 0.0 109.448 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 m -63.13 -48.25 79.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 0.0 110.464 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -69.44 -39.4 77.82 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 109.539 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.39 -39.42 85.6 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.409 -0.807 . . . . 0.0 109.565 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.0 p -100.61 172.62 6.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.802 0.811 . . . . 0.0 109.704 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -96.66 9.03 42.82 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -94.09 145.51 24.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.275 -0.891 . . . . 0.0 110.015 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 m -74.23 174.12 9.22 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.761 0.791 . . . . 0.0 110.523 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -66.42 -34.08 77.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.606 -0.684 . . . . 0.0 109.637 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.83 -46.69 88.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.073 -1.017 . . . . 0.0 109.921 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.73 -39.96 73.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 109.616 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.54 -42.85 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.485 -0.759 . . . . 0.0 109.468 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.3 t -61.42 -48.89 79.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.167 -0.958 . . . . 0.0 110.186 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -63.81 -44.36 93.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.291 -0.88 . . . . 0.0 109.736 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -70.33 -41.43 73.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.482 -0.761 . . . . 0.0 109.777 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.67 -48.98 76.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.264 -0.897 . . . . 0.0 110.22 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.6 -46.13 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.161 -0.962 . . . . 0.0 109.943 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -68.18 -41.93 80.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.372 -0.83 . . . . 0.0 109.677 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.98 -48.12 63.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.487 -0.758 . . . . 0.0 109.653 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HG3' HD23 ' A' ' 64' ' ' LEU . 73.7 ttp85 -66.41 -45.68 79.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.9 . . . . 0.0 109.792 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -65.91 -22.72 66.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.363 -0.835 . . . . 0.0 110.086 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -98.42 -23.94 15.37 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.297 -0.877 . . . . 0.0 109.863 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 64' ' ' LEU . 44.2 mt -90.18 -72.12 0.58 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.136 -0.978 . . . . 0.0 110.995 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.627 HD11 ' O ' ' A' ' 28' ' ' ARG . 3.5 mm? -28.92 -64.31 0.18 Allowed Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.893 -0.505 . . . . 0.0 112.204 -178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 13.4 Cg_endo . . . . . 0 C--N 1.303 -1.822 0 C-N-CA 121.654 1.569 . . . . 0.0 112.399 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.4 mt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.414 ' O ' HG23 ' A' ' 17' ' ' VAL . 88.1 Cg_exo -40.19 163.95 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.612 2.208 . . . . 0.0 113.313 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.95 -39.91 96.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.403 -0.81 . . . . 0.0 109.742 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -58.83 -50.99 71.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.027 -1.046 . . . . 0.0 109.579 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.0 t -63.76 -42.87 97.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.905 . . . . 0.0 109.76 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 13' ' ' PRO . 69.7 t -63.92 -43.18 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.419 -0.801 . . . . 0.0 109.649 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -57.74 -47.91 81.1 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.144 -0.972 . . . . 0.0 109.867 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.49 -46.41 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.975 -1.078 . . . . 0.0 110.148 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.61 -41.6 92.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.243 -0.911 . . . . 0.0 109.777 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -63.31 -41.16 98.92 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.471 -0.768 . . . . 0.0 109.853 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.86 -48.67 79.14 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.179 -0.951 . . . . 0.0 109.796 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -61.55 -43.26 99.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.322 -0.861 . . . . 0.0 109.818 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.3 tp -66.64 -38.2 86.39 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.016 -1.053 . . . . 0.0 109.439 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -58.14 -44.12 87.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.48 -0.763 . . . . 0.0 109.68 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.08 -17.21 53.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.319 -0.863 . . . . 0.0 109.464 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -122.48 44.83 2.52 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.63 -0.669 . . . . 0.0 109.536 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.01 -42.2 97.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.422 -0.799 . . . . 0.0 109.311 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -89.79 -22.23 22.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.44 -0.788 . . . . 0.0 108.952 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -95.44 29.96 2.4 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.91 63.64 7.66 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.393 -0.817 . . . . 0.0 108.996 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.54 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 40.7 p90 -99.88 111.66 62.34 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.334 -0.853 . . . . 0.0 108.832 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -49.04 135.04 29.88 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.898 1.732 . . . . 0.0 113.001 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.6 t -165.39 154.42 12.18 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.178 -0.951 . . . . 0.0 109.692 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -65.27 -36.77 85.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.421 -0.799 . . . . 0.0 109.417 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.0 -47.0 79.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 0.0 109.941 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.63 -45.18 69.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.263 -0.898 . . . . 0.0 109.717 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.83 -40.76 95.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.759 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.07 95.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.107 -0.996 . . . . 0.0 109.478 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.97 -45.3 89.71 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.166 -0.959 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.3 -41.13 94.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.51 -0.744 . . . . 0.0 109.472 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.3 p -63.52 -34.61 78.17 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.351 -0.843 . . . . 0.0 109.67 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -69.04 -39.94 78.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.144 -0.972 . . . . 0.0 109.9 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.08 -41.85 94.66 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 109.603 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 p -96.34 -4.3 42.27 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.539 ' N ' ' O ' ' A' ' 42' ' ' SER . 78.8 m80 56.57 13.61 1.42 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.683 -0.635 . . . . 0.0 109.627 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -79.27 160.91 26.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.508 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 m -72.61 161.41 30.81 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.602 0.715 . . . . 0.0 110.403 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 m -61.32 -44.75 96.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.577 -0.702 . . . . 0.0 109.571 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.5 mp -63.04 -40.44 97.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.118 -0.988 . . . . 0.0 109.457 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -62.6 -43.61 98.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.14 -0.975 . . . . 0.0 109.386 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.62 -43.35 93.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.687 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.8 m -63.47 -43.09 98.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.88 . . . . 0.0 110.249 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -64.47 -46.96 80.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.95 -1.094 . . . . 0.0 109.571 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -67.97 -38.84 83.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.53 -0.731 . . . . 0.0 109.391 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -58.48 -45.91 87.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.457 -0.777 . . . . 0.0 110.039 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.64 -44.26 98.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.224 -0.923 . . . . 0.0 109.683 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -68.78 -47.54 65.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.11 -0.994 . . . . 0.0 110.402 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.44 94.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.767 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -64.04 -42.0 97.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.39 -0.819 . . . . 0.0 109.114 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -74.06 -12.07 60.51 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.761 -0.587 . . . . 0.0 110.105 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -110.26 -6.5 15.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.57 -0.706 . . . . 0.0 109.755 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' LEU . 81.0 mt -114.07 -66.98 1.03 Allowed 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.35 -0.844 . . . . 0.0 111.271 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 5.9 mp -39.62 -62.91 0.74 Allowed Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.582 -0.699 . . . . 0.0 111.294 -178.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 38.6 Cg_exo . . . . . 0 C--N 1.308 -1.594 0 C-N-CA 121.932 1.754 . . . . 0.0 112.063 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 55' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.403 ' O ' HG23 ' A' ' 17' ' ' VAL . 32.9 Cg_exo -58.93 146.95 91.91 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.406 2.071 . . . . 0.0 112.607 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -61.32 -37.83 84.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.615 -0.678 . . . . 0.0 109.49 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.87 -47.65 85.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.537 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.9 p -67.22 -40.06 86.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.134 -0.979 . . . . 0.0 109.355 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 13' ' ' PRO . 59.5 t -63.38 -43.29 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.398 -0.814 . . . . 0.0 109.24 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.29 -49.05 79.32 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.265 -0.897 . . . . 0.0 109.649 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.65 -44.89 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.084 -1.01 . . . . 0.0 109.767 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' CD2' HD22 ' A' ' 41' ' ' LEU . 15.6 mt -63.36 -41.79 98.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.386 -0.821 . . . . 0.0 109.712 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.08 -39.28 91.89 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.369 -0.832 . . . . 0.0 109.376 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.76 -47.67 79.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -0.835 . . . . 0.0 109.684 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -60.47 -41.65 94.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.134 -0.979 . . . . 0.0 109.467 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.27 -40.89 98.67 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.3 -0.875 . . . . 0.0 108.883 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.551 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 3.0 m-85 -60.33 -43.18 96.63 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.719 -0.613 . . . . 0.0 109.696 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.03 -38.02 85.16 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.291 -0.881 . . . . 0.0 109.522 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -91.92 14.86 14.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 108.859 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.551 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 45.2 ttm180 -58.22 146.64 33.15 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.488 -0.758 . . . . 0.0 110.219 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.7 t80 69.18 -60.81 0.45 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.375 0.607 . . . . 0.0 109.642 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 31' ' ' ALA . 76.8 m-20 -62.75 -42.16 99.54 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.358 -0.839 . . . . 0.0 109.544 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' ' CD2' ' A' ' 32' ' ' TYR . . . 48.21 104.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.501 -0.75 . . . . 0.0 110.77 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 31' ' ' ALA . 26.6 m-85 -164.21 73.09 1.68 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.028 -1.045 . . . . 0.0 109.1 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.496 ' CG ' ' NH2' ' A' ' 60' ' ' ARG . 35.8 Cg_exo -60.5 148.71 89.96 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.906 2.404 . . . . 0.0 112.34 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 t -147.56 154.99 41.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.218 -0.926 . . . . 0.0 109.827 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -56.89 -22.2 35.37 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.473 -0.767 . . . . 0.0 109.814 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -60.23 -49.47 77.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.153 -0.967 . . . . 0.0 109.624 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 37' ' ' GLU . 52.1 mp0 -68.15 -39.98 82.5 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.326 -0.859 . . . . 0.0 109.473 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -63.16 -40.83 98.69 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.317 -0.865 . . . . 0.0 109.468 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.78 -53.54 54.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.211 -0.931 . . . . 0.0 109.974 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.86 -40.49 95.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.869 . . . . 0.0 109.471 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 20' ' ' LEU . 28.1 mt -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.272 -0.893 . . . . 0.0 109.669 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.6 p -62.08 -39.55 92.8 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.272 -0.892 . . . . 0.0 109.632 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -77.04 -45.97 25.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 0.0 109.452 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.79 -40.6 92.08 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.356 -0.84 . . . . 0.0 109.67 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.436 ' C ' ' H ' ' A' ' 47' ' ' LEU . 22.9 p -107.77 129.69 55.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.519 -0.738 . . . . 0.0 109.12 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -71.17 42.68 0.07 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.665 -0.647 . . . . 0.0 109.488 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.436 ' H ' ' C ' ' A' ' 45' ' ' THR . 86.4 mt -114.09 148.47 37.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.603 -0.686 . . . . 0.0 109.643 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -68.56 159.98 30.84 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.682 0.753 . . . . 0.0 110.684 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.7 m -61.79 -43.69 98.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.64 -0.663 . . . . 0.0 110.125 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.8 mp -62.95 -40.39 97.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.171 -0.956 . . . . 0.0 109.708 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -62.31 -41.24 98.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.334 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.57 -44.47 96.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.366 -0.833 . . . . 0.0 109.569 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -64.42 -47.28 79.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.37 -0.831 . . . . 0.0 110.11 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -63.61 -41.49 98.29 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.897 . . . . 0.0 109.196 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.554 ' CD1' HD11 ' A' ' 12' ' ' LEU . 82.0 t90 -66.3 -38.52 87.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.498 -0.751 . . . . 0.0 109.851 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.83 -46.36 87.86 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 109.892 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.19 -48.44 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.094 -1.004 . . . . 0.0 110.426 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -67.72 -42.78 81.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.997 -1.064 . . . . 0.0 110.057 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.423 ' HB2' ' CE2' ' A' ' 55' ' ' TRP . . . -64.37 -35.51 81.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.278 -0.889 . . . . 0.0 109.58 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.496 ' NH2' ' CG ' ' A' ' 33' ' ' PRO . 37.2 ttm180 -62.55 -49.38 75.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.034 -1.041 . . . . 0.0 109.856 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -75.99 -5.54 46.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.191 -0.943 . . . . 0.0 110.052 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -107.03 -26.98 10.92 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.606 -0.684 . . . . 0.0 110.285 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.7 mt -98.05 -45.39 6.27 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.184 -0.947 . . . . 0.0 111.008 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.525 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.6 tp -51.68 -43.41 87.79 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.076 -1.015 . . . . 0.0 111.016 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 2.1 Cg_endo . . . . . 0 C--N 1.309 -1.506 0 C-N-CA 121.768 1.646 . . . . 0.0 111.187 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -43.64 157.72 0.12 Allowed 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.38 2.054 . . . . 0.0 113.259 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -44.53 96.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.463 -0.773 . . . . 0.0 110.106 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.89 -41.7 99.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.109 -0.994 . . . . 0.0 109.734 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -63.51 -43.58 96.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.065 -1.022 . . . . 0.0 109.515 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.47 -43.27 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.254 -0.904 . . . . 0.0 109.218 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -57.16 -44.97 83.98 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.332 -0.855 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.22 -44.94 97.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.136 -0.978 . . . . 0.0 109.468 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.429 HD21 HG21 ' A' ' 45' ' ' THR . 91.9 mt -65.54 -42.37 92.0 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.918 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -65.59 -41.89 92.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.31 -0.869 . . . . 0.0 109.911 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.59 -46.17 91.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.275 -0.89 . . . . 0.0 110.207 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.539 ' NE1' ' OE2' ' A' ' 37' ' ' GLU . 68.3 t-105 -62.68 -41.14 98.94 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 109.615 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' ARG . 32.7 tp -63.04 -40.82 98.86 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.28 -0.887 . . . . 0.0 109.485 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CE1' ' NH2' ' A' ' 28' ' ' ARG . 3.7 m-85 -60.85 -37.88 83.6 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.345 -0.847 . . . . 0.0 109.191 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.44 -39.16 93.73 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.153 -0.967 . . . . 0.0 109.375 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -134.94 57.21 1.81 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.471 -0.768 . . . . 0.0 108.952 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 25' ' ' TYR . 4.3 ptp180 -71.07 -35.51 71.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.592 -0.693 . . . . 0.0 109.922 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -61.21 -47.15 87.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.183 -0.948 . . . . 0.0 110.142 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.438 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 21.7 t-20 -97.08 -105.08 0.17 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.191 -0.943 . . . . 0.0 110.216 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' N ' ' CG ' ' A' ' 30' ' ' ASN . . . 44.39 51.86 7.55 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.02 166.14 40.67 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 109.265 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.51 134.28 51.96 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.284 1.989 . . . . 0.0 113.074 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.1 p -167.79 150.97 5.95 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.446 -0.784 . . . . 0.0 109.333 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 58.9 mp0 -71.2 -38.63 72.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.392 -0.818 . . . . 0.0 109.711 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -65.99 -43.24 88.34 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.242 -0.911 . . . . 0.0 109.984 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.539 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 51.0 tp10 -67.82 -43.73 78.94 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.233 -0.917 . . . . 0.0 109.611 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -63.01 -44.14 96.82 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.17 -0.956 . . . . 0.0 109.219 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.09 87.1 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.308 -0.87 . . . . 0.0 109.318 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.49 -48.66 76.74 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.338 -0.851 . . . . 0.0 109.421 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.85 -39.65 83.79 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.53 -0.731 . . . . 0.0 109.603 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 46' ' ' HIS . 38.2 t -60.85 -42.29 97.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.48 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -40.68 93.66 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.197 -0.939 . . . . 0.0 109.138 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -64.86 -39.93 94.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.228 -0.92 . . . . 0.0 109.825 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.429 HG21 HD21 ' A' ' 20' ' ' LEU . 54.6 p -93.1 -10.56 35.56 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.252 -0.905 . . . . 0.0 109.116 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 42' ' ' SER . 59.2 m-70 60.86 7.65 1.55 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.533 -0.729 . . . . 0.0 109.121 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.9 mt -87.29 167.08 14.39 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.355 -0.84 . . . . 0.0 110.211 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.4 p -73.79 159.21 33.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.441 -0.787 . . . . 0.0 110.444 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.449 ' O ' ' SG ' ' A' ' 53' ' ' CYS . 30.1 p -67.92 -33.95 75.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.426 -0.796 . . . . 0.0 109.817 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.74 -45.37 93.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.136 -0.977 . . . . 0.0 109.844 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -70.3 -41.97 72.64 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.214 -0.929 . . . . 0.0 109.674 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.59 -43.67 93.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.289 -0.882 . . . . 0.0 109.71 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 49' ' ' THR . 87.3 m -61.83 -38.76 89.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.342 -0.849 . . . . 0.0 110.116 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -64.22 -41.16 97.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.091 -1.006 . . . . 0.0 109.728 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -59.45 -47.14 86.63 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.249 -0.907 . . . . 0.0 109.054 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.455 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 34.6 m-85 -65.73 -36.89 84.87 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.887 -1.125 . . . . 0.0 113.714 -177.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.02 -49.37 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 C-N-CA 115.868 -2.333 . . . . 0.0 108.89 -177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -68.97 -44.49 72.82 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.805 -1.185 . . . . 0.0 109.876 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.95 95.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.758 -1.214 . . . . 0.0 110.102 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 56' ' ' PHE . 79.8 mtp85 -63.47 -43.0 98.58 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.068 -1.02 . . . . 0.0 109.836 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.89 -17.73 62.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.189 -0.944 . . . . 0.0 110.184 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -104.56 -5.22 21.71 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.2 -0.937 . . . . 0.0 110.11 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' LEU . 79.0 mt -113.39 -66.28 1.1 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.301 -0.874 . . . . 0.0 110.425 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 6.4 mp -39.19 -64.13 0.54 Allowed Pre-proline 0 N--CA 1.498 1.948 0 O-C-N 121.485 -0.76 . . . . 0.0 110.987 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.428 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 12.6 Cg_endo . . . . . 0 N--CA 1.494 1.528 0 C-N-CA 121.784 1.656 . . . . 0.0 111.594 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.886 0.374 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.29 141.56 0.74 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.801 2.334 . . . . 0.0 113.046 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.71 -31.44 72.62 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.402 0.62 . . . . 0.0 110.038 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.4 -49.6 73.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.404 -0.81 . . . . 0.0 109.996 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -67.82 -39.27 83.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.316 -0.865 . . . . 0.0 109.7 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.59 -42.32 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.559 -0.713 . . . . 0.0 109.488 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.98 -44.01 93.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.597 -0.689 . . . . 0.0 110.057 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.28 -44.5 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.327 -0.858 . . . . 0.0 109.682 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.81 -41.02 92.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.481 -0.762 . . . . 0.0 109.643 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -65.21 -41.6 94.33 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.542 0.687 . . . . 0.0 109.667 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.43 -44.11 97.7 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.528 -0.733 . . . . 0.0 109.951 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.519 ' CZ2' ' NE2' ' A' ' 27' ' ' HIS . 72.8 t-105 -64.34 -47.86 77.73 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.708 0.766 . . . . 0.0 109.562 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.7 -40.6 95.65 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.681 0.753 . . . . 0.0 110.009 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.473 ' CD1' ' NH2' ' A' ' 28' ' ' ARG . 75.4 t80 -60.24 -46.28 90.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.448 -0.782 . . . . 0.0 109.7 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.77 -48.23 80.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.403 -0.811 . . . . 0.0 109.57 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.566 ' O ' ' N ' ' A' ' 29' ' ' TYR . 89.1 m-70 -77.9 -77.38 0.16 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.44 -0.788 . . . . 0.0 109.675 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.473 ' NH2' ' CD1' ' A' ' 25' ' ' TYR . 35.1 ttm180 57.41 -75.65 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.482 0.658 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.566 ' N ' ' O ' ' A' ' 27' ' ' HIS . 99.7 m-85 -61.31 -44.79 96.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.489 -0.757 . . . . 0.0 110.502 -178.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.495 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 77.2 m-20 -67.75 -61.87 1.68 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.098 -1.001 . . . . 0.0 109.589 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 45.9 98.7 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.916 0.865 . . . . 0.0 110.26 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 30' ' ' ASN . 41.7 m-85 -158.07 73.18 4.03 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.613 -0.679 . . . . 0.0 109.262 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.19 144.19 99.5 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.943 2.429 . . . . 0.0 112.3 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.9 t -160.37 170.49 20.92 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.75 0.786 . . . . 0.0 109.86 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -54.83 -22.21 13.75 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.536 0.684 . . . . 0.0 109.507 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -73.0 -57.68 3.86 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.499 -0.75 . . . . 0.0 109.477 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 37' ' ' GLU . 57.9 mp0 -72.35 -38.51 68.57 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.628 -0.67 . . . . 0.0 110.271 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.04 -43.24 99.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.349 -0.844 . . . . 0.0 109.53 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.97 76.41 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.652 0.739 . . . . 0.0 109.514 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.04 -45.26 86.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.506 -0.746 . . . . 0.0 110.031 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.14 -40.85 90.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.505 -0.747 . . . . 0.0 109.83 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.7 p -62.6 -39.26 93.17 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.505 0.669 . . . . 0.0 109.645 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -66.88 -44.8 79.95 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.535 -0.728 . . . . 0.0 109.461 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -70.57 -40.18 73.47 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.435 -0.791 . . . . 0.0 109.476 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p -87.11 165.79 15.49 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.814 0.816 . . . . 0.0 109.974 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -105.82 26.58 9.44 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.2 mt -109.42 150.42 28.1 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.755 0.788 . . . . 0.0 110.168 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.3 m -67.78 166.42 15.4 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.839 0.828 . . . . 0.0 110.395 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -61.94 -42.92 99.66 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.549 0.69 . . . . 0.0 109.595 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.5 -42.45 99.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.481 -0.762 . . . . 0.0 109.756 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.36 -40.37 95.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.499 -0.75 . . . . 0.0 109.368 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.92 -45.56 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.55 -0.719 . . . . 0.0 109.91 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.0 m -65.63 -45.75 81.85 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.366 -0.834 . . . . 0.0 109.417 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -64.96 -38.76 92.04 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.639 0.733 . . . . 0.0 109.393 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.402 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 85.7 t90 -58.35 -42.31 86.61 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.617 -0.677 . . . . 0.0 110.041 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -63.01 -44.39 96.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.41 -0.806 . . . . 0.0 110.104 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.61 -47.16 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.46 -0.775 . . . . 0.0 110.126 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -76.0 -44.58 38.89 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.44 -0.787 . . . . 0.0 110.247 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' LEU . . . -62.77 -44.81 95.2 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.549 -0.719 . . . . 0.0 110.072 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.53 -46.23 89.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.386 -0.821 . . . . 0.0 109.828 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.52 -16.49 63.45 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.439 -0.788 . . . . 0.0 110.039 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -102.1 -23.36 14.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.35 -0.844 . . . . 0.0 109.434 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 64' ' ' LEU . 69.3 mt -94.02 -70.21 0.72 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.34 -0.85 . . . . 0.0 110.909 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -31.39 -64.88 0.21 Allowed Pre-proline 0 N--CA 1.501 2.094 0 O-C-N 121.89 -0.506 . . . . 0.0 112.055 -178.175 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 17.4 Cg_endo . . . . . 0 C--N 1.303 -1.849 0 C-N-CA 121.602 1.535 . . . . 0.0 112.633 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.28 157.4 0.17 Allowed 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.579 2.186 . . . . 0.0 113.001 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -60.69 -41.33 94.94 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.458 0.647 . . . . 0.0 109.859 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -59.57 -48.17 82.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.457 -0.777 . . . . 0.0 109.633 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.5 t -64.39 -42.05 96.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.463 -0.773 . . . . 0.0 109.708 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.0 -43.2 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.449 -0.782 . . . . 0.0 109.459 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -45.41 91.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.333 -0.854 . . . . 0.0 109.613 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.95 -45.05 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 CA-C-O 121.696 0.76 . . . . 0.0 109.526 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.88 -41.47 91.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.5 -0.75 . . . . 0.0 109.781 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -63.31 -43.27 98.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.428 -0.795 . . . . 0.0 109.637 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -62.3 -45.89 91.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.576 -0.703 . . . . 0.0 109.717 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.57 ' CD1' HD21 ' A' ' 41' ' ' LEU . 52.4 t-105 -63.09 -46.61 86.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.845 . . . . 0.0 109.413 -179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.19 -40.44 96.11 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.808 0.813 . . . . 0.0 109.218 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.613 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 58.4 t80 -60.65 -47.82 84.55 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.625 -0.672 . . . . 0.0 110.134 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.71 -38.98 77.13 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.425 -0.797 . . . . 0.0 110.064 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.53 46.28 0.93 Allowed 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.613 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 16.9 ptp180 -66.31 -30.27 70.64 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 121.504 0.669 . . . . 0.0 109.777 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -61.78 -43.44 98.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.408 -0.808 . . . . 0.0 109.443 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 92.0 m-20 -78.51 -104.95 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.464 -0.773 . . . . 0.0 109.652 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 30' ' ' ASN . . . 64.31 44.93 4.08 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.393 0.616 . . . . 0.0 109.808 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.476 ' C ' ' H ' ' A' ' 34' ' ' SER . 10.5 m-85 -99.81 153.46 37.76 Favored Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 109.335 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.58 19.37 0.18 Allowed 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.858 2.372 . . . . 0.0 111.334 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.476 ' H ' ' C ' ' A' ' 32' ' ' TYR . 32.1 t -63.42 149.23 46.46 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.724 0.773 . . . . 0.0 110.463 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.02 -34.16 77.77 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.507 0.67 . . . . 0.0 109.445 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.51 -40.17 95.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.456 -0.777 . . . . 0.0 109.468 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -65.96 -45.68 80.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.49 -0.756 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -66.04 -39.2 89.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.583 -0.698 . . . . 0.0 109.863 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.55 77.38 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.4 -0.813 . . . . 0.0 109.844 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.73 -43.01 97.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.327 -0.858 . . . . 0.0 109.682 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 23' ' ' TRP . 95.9 mt -65.85 -40.43 91.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.555 -0.716 . . . . 0.0 109.554 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -62.57 -36.48 82.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.589 -0.695 . . . . 0.0 109.504 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.22 -39.1 75.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.531 -0.73 . . . . 0.0 109.657 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -70.48 -39.87 73.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.451 -0.78 . . . . 0.0 109.908 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 47' ' ' LEU . 81.5 p -110.65 128.84 55.86 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.826 0.822 . . . . 0.0 109.719 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -71.05 44.33 0.08 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 121.336 0.588 . . . . 0.0 109.51 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 45' ' ' THR . 95.5 mt -114.87 149.24 37.45 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.74 0.781 . . . . 0.0 109.943 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.2 p -70.75 165.66 22.57 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.858 0.837 . . . . 0.0 110.236 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.0 p -63.14 -40.2 96.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.675 -0.641 . . . . 0.0 109.912 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.5 mp -63.5 -42.26 98.51 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.47 -0.769 . . . . 0.0 109.492 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -68.38 -43.69 76.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.313 -0.867 . . . . 0.0 109.624 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -67.5 -43.3 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.531 -0.73 . . . . 0.0 109.776 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.4 t -60.01 -41.98 93.33 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.554 -0.716 . . . . 0.0 110.117 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -62.68 -49.18 76.13 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.185 -0.947 . . . . 0.0 109.73 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -69.34 -38.73 78.28 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.658 0.742 . . . . 0.0 109.763 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -59.26 -46.18 89.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.567 -0.708 . . . . 0.0 110.035 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.2 -49.21 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.163 -0.96 . . . . 0.0 109.955 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -65.69 -42.47 91.17 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.474 -0.766 . . . . 0.0 109.826 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.89 -34.38 75.33 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.549 0.69 . . . . 0.0 109.82 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -55.38 -60.54 3.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.446 -0.784 . . . . 0.0 109.258 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' A' ' 65' ' ' PRO . 84.1 mtt85 -61.68 -31.9 72.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.559 -0.713 . . . . 0.0 110.55 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -80.0 -15.23 57.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.387 -0.821 . . . . 0.0 110.948 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' LEU . 95.2 mt -114.34 -56.36 2.4 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.22 -0.925 . . . . 0.0 111.462 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . 3.7 mm? -36.87 -63.87 0.43 Allowed Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 121.655 -0.653 . . . . 0.0 111.41 -178.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.451 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 12.0 Cg_endo . . . . . 0 C--N 1.306 -1.694 0 C-N-CA 121.582 1.521 . . . . 0.0 111.663 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.08 152.11 83.42 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.339 2.026 . . . . 0.0 112.375 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HZ2' HH22 ' A' ' 21' ' ' ARG . 56.5 tttp -62.5 -36.48 82.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.377 -0.827 . . . . 0.0 109.563 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -58.32 -53.42 58.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 109.712 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -63.52 -41.73 98.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 0.0 109.887 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.06 -43.47 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.481 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HA ' ' HE ' ' A' ' 21' ' ' ARG . 62.1 tt0 -59.59 -40.54 87.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.317 -0.864 . . . . 0.0 109.761 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.59 -43.95 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.255 -0.903 . . . . 0.0 109.45 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.21 -43.09 99.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.259 -0.901 . . . . 0.0 109.564 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.498 HH22 ' HZ2' ' A' ' 14' ' ' LYS . 90.1 mtm180 -67.21 -38.36 85.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.374 -0.828 . . . . 0.0 109.379 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.78 -46.71 89.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.327 -0.858 . . . . 0.0 109.836 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.509 ' NE1' ' OE2' ' A' ' 37' ' ' GLU . 64.4 t-105 -66.98 -42.29 85.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.478 -0.764 . . . . 0.0 109.516 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.16 -40.92 90.91 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.13 -0.981 . . . . 0.0 109.761 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.33 -48.67 78.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.294 -0.879 . . . . 0.0 109.58 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' OE2' ' CE3' ' A' ' 23' ' ' TRP . 16.3 pt-20 -70.89 -35.79 72.47 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.233 -0.917 . . . . 0.0 109.021 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 28' ' ' ARG . 9.2 t-160 -80.38 -81.55 0.12 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.293 -0.879 . . . . 0.0 109.705 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' ASN . 16.1 ptm180 32.59 -146.14 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.123 0.487 . . . . 0.0 110.913 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 53.44 -84.06 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.649 -0.657 . . . . 0.0 109.793 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 28' ' ' ARG . 15.2 t-20 -112.55 10.76 19.61 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.4 92.9 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.412 -0.805 . . . . 0.0 109.234 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 30' ' ' ASN . 39.0 p90 -92.87 147.27 33.67 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.303 -0.873 . . . . 0.0 109.521 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.98 141.28 52.77 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.319 2.013 . . . . 0.0 112.44 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -161.23 157.65 26.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 109.642 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.18 -37.78 81.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.348 -0.845 . . . . 0.0 109.266 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.26 -44.84 86.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.292 -0.88 . . . . 0.0 109.64 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.509 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 50.1 tp10 -68.87 -47.11 66.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 0.0 109.569 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 98.4 mttt -64.95 -40.67 95.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.492 -0.755 . . . . 0.0 109.951 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.3 85.81 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.288 -0.882 . . . . 0.0 109.35 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.13 -43.99 96.85 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.593 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.71 -41.22 96.14 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.371 -0.831 . . . . 0.0 109.614 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.2 p -61.67 -41.09 97.07 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.323 -0.86 . . . . 0.0 109.504 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.49 -38.86 77.86 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.255 -0.903 . . . . 0.0 109.318 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.74 -40.91 88.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.454 -0.779 . . . . 0.0 109.656 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 p -97.65 -3.07 40.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.197 -0.94 . . . . 0.0 108.828 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 42' ' ' SER . 59.8 t-80 59.08 12.93 2.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.532 -0.73 . . . . 0.0 109.245 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.6 mt -80.97 163.02 23.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.349 -0.845 . . . . 0.0 110.477 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.5 m -72.53 152.69 41.72 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.495 -0.753 . . . . 0.0 110.386 -179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.7 m -62.58 -43.26 99.26 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.704 -0.622 . . . . 0.0 109.324 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.42 -43.45 98.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.458 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.94 -45.31 86.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.341 -0.85 . . . . 0.0 109.934 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.46 -43.28 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 109.701 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.425 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 36.0 t -61.72 -49.63 75.67 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.302 -0.874 . . . . 0.0 109.906 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -63.93 -42.12 97.44 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.136 -0.977 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -67.74 -40.08 84.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.542 -0.723 . . . . 0.0 109.792 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.04 -47.9 83.56 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.402 -0.812 . . . . 0.0 110.122 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.79 -45.83 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.131 -0.981 . . . . 0.0 110.261 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -68.33 -40.6 81.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.231 -0.918 . . . . 0.0 110.439 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.67 88.8 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.318 -0.864 . . . . 0.0 110.172 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -64.71 -39.66 94.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.107 -0.996 . . . . 0.0 110.012 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -74.28 -7.65 53.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.52 -0.738 . . . . 0.0 110.052 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.6 mmt-85 -120.65 -5.98 9.7 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.381 -0.824 . . . . 0.0 110.064 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -110.98 -58.95 2.03 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.282 -0.886 . . . . 0.0 110.36 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.42 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -47.98 -50.86 51.79 Favored Pre-proline 0 C--N 1.304 -1.403 0 O-C-N 121.261 -0.899 . . . . 0.0 110.138 -178.424 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 35.6 Cg_exo . . . . . 0 C--N 1.309 -1.501 0 C-N-CA 121.403 1.402 . . . . 0.0 111.53 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 12' ' ' LEU . 6.1 mt . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.4 ' O ' HG23 ' A' ' 17' ' ' VAL . 37.5 Cg_endo -65.41 163.44 29.62 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.632 2.222 . . . . 0.0 112.843 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -58.97 -40.15 83.88 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.377 0.608 . . . . 0.0 109.531 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -56.95 -46.47 82.11 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.298 -0.876 . . . . 0.0 109.425 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -67.51 -36.46 81.09 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.355 -0.841 . . . . 0.0 109.457 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 13' ' ' PRO . 71.0 t -63.78 -43.73 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.461 -0.775 . . . . 0.0 109.384 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -62.86 -43.11 99.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.407 -0.808 . . . . 0.0 109.37 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.96 -45.95 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.334 -0.854 . . . . 0.0 109.56 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.07 -40.05 82.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.534 -0.729 . . . . 0.0 109.714 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -62.12 -42.14 98.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.467 -0.771 . . . . 0.0 109.662 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.71 -45.05 95.62 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.473 -0.767 . . . . 0.0 109.379 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -65.46 -42.64 92.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.538 -0.726 . . . . 0.0 109.436 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.2 tp -67.92 -35.88 79.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.464 -0.773 . . . . 0.0 109.624 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -59.06 -48.54 81.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.424 -0.797 . . . . 0.0 109.672 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.18 -34.94 71.38 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.493 -0.754 . . . . 0.0 109.993 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -105.9 38.26 2.05 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.329 -0.857 . . . . 0.0 109.091 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -60.89 -34.78 75.16 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -61.55 -41.53 97.51 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -90.08 90.82 8.29 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.769 0.795 . . . . 0.0 109.119 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 32' ' ' TYR . . . -95.99 68.03 2.71 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.53 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 1.7 t80 165.57 94.49 0.02 OUTLIER Pre-proline 0 C--N 1.301 -1.516 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -81.49 144.49 14.28 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.634 2.223 . . . . 0.0 112.437 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -80.77 171.15 15.38 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.871 0.843 . . . . 0.0 110.652 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -53.21 -43.74 67.45 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.5 0.667 . . . . 0.0 109.821 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -66.66 -41.85 87.54 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.298 -0.876 . . . . 0.0 109.485 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -66.7 -38.57 87.02 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.462 -0.774 . . . . 0.0 109.441 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -63.59 -39.29 94.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.52 -0.738 . . . . 0.0 109.427 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.72 93.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.487 -0.758 . . . . 0.0 109.272 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.54 -44.8 93.14 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.468 -0.77 . . . . 0.0 109.604 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.19 -40.31 90.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.553 -0.717 . . . . 0.0 109.453 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.7 p -61.83 -39.47 91.92 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.431 -0.793 . . . . 0.0 109.498 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -68.7 -36.56 78.64 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 121.713 0.768 . . . . 0.0 109.334 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -64.38 -38.63 91.71 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.621 0.725 . . . . 0.0 109.171 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.9 p -98.8 -8.73 25.42 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.338 -0.851 . . . . 0.0 108.912 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 42' ' ' SER . 27.6 m-70 64.91 5.73 3.03 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.577 0.703 . . . . 0.0 109.23 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.4 mt -85.57 160.47 19.63 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.861 0.839 . . . . 0.0 110.375 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.8 m -73.15 155.42 39.66 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.719 0.771 . . . . 0.0 110.214 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 p -64.23 -35.75 81.83 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.553 0.692 . . . . 0.0 109.421 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.42 -42.63 98.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.505 -0.747 . . . . 0.0 109.283 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -66.73 -41.59 87.63 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.514 -0.741 . . . . 0.0 109.444 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.97 -43.21 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 CA-C-O 121.583 0.706 . . . . 0.0 109.531 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.3 t -57.67 -47.63 81.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.47 -0.768 . . . . 0.0 109.889 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -64.05 -44.7 91.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.461 -0.775 . . . . 0.0 109.709 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.42 ' CE2' ' HB2' ' A' ' 59' ' ' ALA . 73.4 t90 -66.13 -38.92 89.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.509 -0.745 . . . . 0.0 109.541 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.11 -43.68 91.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.619 -0.676 . . . . 0.0 109.798 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.6 -46.29 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.339 -0.851 . . . . 0.0 109.727 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -70.01 -43.19 71.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.219 -0.926 . . . . 0.0 109.727 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' A' ' 55' ' ' TRP . . . -64.62 -36.61 84.82 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.426 -0.796 . . . . 0.0 109.308 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -66.88 -42.41 85.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.531 -0.731 . . . . 0.0 109.758 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -70.12 -16.52 63.12 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.455 -0.778 . . . . 0.0 110.292 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -107.82 -31.05 8.19 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.326 -0.859 . . . . 0.0 110.363 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.9 mt -94.82 -40.9 9.5 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.081 -1.012 . . . . 0.0 111.168 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.598 ' N ' ' HD2' ' A' ' 65' ' ' PRO . 6.4 tp -53.37 -50.01 85.12 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.181 -0.95 . . . . 0.0 110.836 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 64' ' ' LEU . 19.0 Cg_endo . . . . . 0 N--CA 1.495 1.571 0 C-N-CA 121.442 1.428 . . . . 0.0 111.997 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.503 HD11 ' CG ' ' A' ' 55' ' ' TRP . 5.8 mt . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.84 156.98 0.38 Allowed 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.911 1.741 . . . . 0.0 112.495 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -60.05 -43.35 95.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.453 -0.779 . . . . 0.0 109.49 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -66.58 -38.33 86.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.433 -0.792 . . . . 0.0 109.664 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -63.41 -41.12 98.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.17 -43.47 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.379 -0.826 . . . . 0.0 109.636 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.67 -45.14 94.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.374 -0.829 . . . . 0.0 110.002 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.86 -45.66 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.205 -0.935 . . . . 0.0 109.64 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.73 -40.85 88.54 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.445 -0.784 . . . . 0.0 109.228 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.85 -39.97 96.02 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.52 -49.27 78.0 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.296 -0.877 . . . . 0.0 109.819 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.569 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 62.9 t-105 -62.8 -46.27 88.77 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.302 -0.874 . . . . 0.0 109.164 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.412 HD13 ' NH2' ' A' ' 60' ' ' ARG . 46.4 tp -62.31 -41.0 98.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.464 -0.773 . . . . 0.0 108.946 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CD2' ' NH1' ' A' ' 28' ' ' ARG . 52.8 t80 -60.05 -47.38 86.1 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.765 -0.585 . . . . 0.0 110.089 -178.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.0 -21.79 65.93 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.411 -0.806 . . . . 0.0 110.098 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.569 ' CE1' ' CE2' ' A' ' 23' ' ' TRP . 1.4 m80 -88.64 -85.88 0.18 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.163 -0.961 . . . . 0.0 110.412 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.571 ' NH1' ' CD2' ' A' ' 25' ' ' TYR . 89.3 mtm-85 46.12 -173.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.605 -0.684 . . . . 0.0 110.449 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 50.02 -82.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.375 0.607 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' ARG . 93.3 m-20 -68.67 -66.87 0.52 Allowed 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.596 -0.69 . . . . 0.0 109.805 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 56.77 116.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.583 0.706 . . . . 0.0 110.269 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' SER . 7.3 p90 -152.93 66.04 5.94 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.34 -0.85 . . . . 0.0 109.212 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -45.02 84.32 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.624 2.216 . . . . 0.0 111.766 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' TYR . 11.4 p -81.24 168.95 17.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.433 -0.792 . . . . 0.0 110.538 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -62.78 -43.29 99.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.603 -0.686 . . . . 0.0 109.269 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -66.2 -39.86 89.97 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.415 -0.803 . . . . 0.0 109.473 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.557 ' CD ' ' HE1' ' A' ' 23' ' ' TRP . 80.4 tt0 -65.71 -46.07 80.37 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.282 -0.886 . . . . 0.0 109.611 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.37 -42.94 92.21 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.422 -0.799 . . . . 0.0 109.581 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.9 99.2 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.518 -0.739 . . . . 0.0 109.379 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.86 -44.97 91.52 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.414 -0.804 . . . . 0.0 109.966 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.94 -40.57 91.48 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.441 -0.787 . . . . 0.0 109.56 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.2 p -62.12 -36.31 81.38 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.439 -0.788 . . . . 0.0 109.527 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -66.61 -42.33 87.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.219 -0.926 . . . . 0.0 109.634 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.47 -39.05 85.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.501 -0.749 . . . . 0.0 109.853 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.445 ' C ' ' H ' ' A' ' 47' ' ' LEU . 43.4 p -94.68 -4.56 47.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.337 -0.852 . . . . 0.0 109.088 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' SER . 86.4 t60 57.25 0.74 0.09 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.681 -0.637 . . . . 0.0 110.807 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.445 ' H ' ' C ' ' A' ' 45' ' ' THR . 82.3 mt -77.49 157.99 30.17 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.85 -1.156 . . . . 0.0 109.899 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -68.06 158.68 32.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.497 -0.752 . . . . 0.0 111.132 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.7 p -65.56 -35.71 81.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.619 -0.676 . . . . 0.0 109.748 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 50' ' ' LEU . 11.1 mp -62.97 -42.08 99.73 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.278 -0.889 . . . . 0.0 109.291 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.39 -46.62 72.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.311 -0.868 . . . . 0.0 110.03 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.01 -42.9 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.237 -0.915 . . . . 0.0 109.209 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.11 -58.6 7.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.586 -0.696 . . . . 0.0 110.254 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -61.52 -40.73 95.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.316 -0.865 . . . . 0.0 109.425 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.503 ' CG ' HD11 ' A' ' 12' ' ' LEU . 81.1 t90 -59.5 -38.01 79.79 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.4 -0.813 . . . . 0.0 109.417 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -45.27 95.28 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.847 . . . . 0.0 110.162 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 57' ' ' ILE . 2.2 mp -62.2 -48.04 90.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.191 -0.943 . . . . 0.0 109.807 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -71.95 -46.21 58.29 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.252 -0.905 . . . . 0.0 110.218 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.01 85.81 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.542 -0.724 . . . . 0.0 110.32 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' NH2' HD13 ' A' ' 24' ' ' LEU . 59.6 ttm-85 -66.01 -43.26 88.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.031 -1.043 . . . . 0.0 109.992 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -73.69 -16.56 61.2 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.4 -0.812 . . . . 0.0 110.548 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -101.38 -43.96 5.78 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.256 -0.903 . . . . 0.0 109.95 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.97 -40.48 95.06 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.435 -0.79 . . . . 0.0 110.528 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 3.4 mt -55.68 -64.67 2.0 Allowed Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.037 -1.039 . . . . 0.0 111.024 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 9.8 Cg_endo . . . . . 0 N--CA 1.495 1.559 0 C-N-CA 121.88 1.72 . . . . 0.0 111.763 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.83 151.38 77.57 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.891 2.394 . . . . 0.0 113.011 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -55.47 -36.42 66.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.574 -0.704 . . . . 0.0 109.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.48 -46.4 90.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.263 -0.898 . . . . 0.0 109.46 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -64.61 -40.19 95.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.45 -0.781 . . . . 0.0 109.263 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.19 -43.86 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.443 -0.786 . . . . 0.0 109.287 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -62.53 -44.57 96.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 0.0 109.521 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.84 -45.54 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.311 -0.868 . . . . 0.0 109.681 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.9 -39.82 87.53 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.452 -0.78 . . . . 0.0 109.623 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.76 -42.57 97.7 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.522 -0.736 . . . . 0.0 109.592 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.31 -52.62 64.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.379 -0.826 . . . . 0.0 110.083 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.568 ' CE2' ' ND1' ' A' ' 27' ' ' HIS . 88.8 t90 -58.03 -40.91 82.04 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 25' ' ' TYR . 58.0 tp -73.28 -43.27 61.3 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 118.313 -1.355 . . . . 0.0 113.962 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.467 ' CE1' ' NH1' ' A' ' 28' ' ' ARG . 90.3 t80 -54.86 -51.24 66.53 Favored 'General case' 0 N--CA 1.533 3.721 0 O-C-N 116.567 -3.833 . . . . 0.0 108.342 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' OE2' ' CE1' ' A' ' 27' ' ' HIS . 12.7 pt-20 -61.94 -22.47 65.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.749 -1.219 . . . . 0.0 110.596 178.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.568 ' ND1' ' CE2' ' A' ' 23' ' ' TRP . 36.9 m80 -117.82 33.64 5.54 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.16 -0.963 . . . . 0.0 109.382 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' NH1' ' CE1' ' A' ' 25' ' ' TYR . 34.9 ptt180 -65.86 -38.07 87.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.398 -0.814 . . . . 0.0 109.315 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -91.69 -17.66 25.13 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.336 -0.853 . . . . 0.0 109.276 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 32' ' ' TYR . 82.9 m-20 -91.65 12.06 22.36 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.41 86.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.718 0.77 . . . . 0.0 109.754 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.549 ' N ' ' O ' ' A' ' 30' ' ' ASN . 56.3 m-85 -141.52 70.51 26.13 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -44.45 82.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.942 2.428 . . . . 0.0 111.892 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 32' ' ' TYR . 17.2 m -95.32 -174.28 3.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.366 -0.833 . . . . 0.0 110.255 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.54 -42.1 83.26 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.613 0.72 . . . . 0.0 110.29 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -79.56 -39.87 30.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.876 . . . . 0.0 109.768 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.565 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 12.6 mp0 -65.04 -49.01 71.8 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.318 -0.864 . . . . 0.0 109.911 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' A' ' 39' ' ' ALA . 18.4 ptmt -65.21 -40.04 93.62 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.314 -0.866 . . . . 0.0 109.398 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 38' ' ' LYS . . . -65.48 -37.78 87.83 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.625 0.726 . . . . 0.0 109.17 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.9 tt -62.64 -46.59 87.55 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.869 0.842 . . . . 0.0 109.378 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.483 HD21 ' CG ' ' A' ' 23' ' ' TRP . 97.2 mt -63.52 -43.96 95.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 0.0 109.903 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 49' ' ' THR . 73.4 m -64.73 -40.51 95.46 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.401 -0.812 . . . . 0.0 109.628 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -65.7 -40.19 92.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.374 -0.829 . . . . 0.0 109.514 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -64.88 -39.76 94.05 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.215 -0.928 . . . . 0.0 109.438 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -96.77 169.84 9.59 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.956 0.884 . . . . 0.0 109.758 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -99.64 28.58 4.58 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.6 mt -115.6 154.02 30.19 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.865 0.841 . . . . 0.0 109.955 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -72.03 166.0 23.11 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.79 0.805 . . . . 0.0 110.28 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.468 HG22 ' OG ' ' A' ' 42' ' ' SER . 46.2 p -65.2 -32.01 73.48 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.663 0.744 . . . . 0.0 109.272 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 tp -62.94 -42.6 99.86 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.32 -0.863 . . . . 0.0 109.499 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -66.46 -42.14 88.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.44 -0.787 . . . . 0.0 109.778 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.67 -42.33 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.444 -0.785 . . . . 0.0 109.659 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.5 -45.75 80.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.26 -0.9 . . . . 0.0 109.898 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -63.9 -44.14 93.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 109.837 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -67.57 -40.43 84.89 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.396 -0.815 . . . . 0.0 110.066 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.07 -43.65 95.3 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.42 -0.8 . . . . 0.0 110.091 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.06 -45.27 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.23 -0.918 . . . . 0.0 110.015 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.607 ' ND2' ' CZ ' ' A' ' 62' ' ' ARG . 41.4 t30 -72.62 -46.02 56.19 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 122.049 0.928 . . . . 0.0 109.933 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.56 81.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.086 -1.009 . . . . 0.0 109.558 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -63.67 -57.68 9.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.374 -0.829 . . . . 0.0 109.908 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.46 -8.23 8.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.403 -0.81 . . . . 0.0 109.803 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.607 ' CZ ' ' ND2' ' A' ' 58' ' ' ASN . 82.7 mtm180 -102.76 -25.63 13.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.449 -0.782 . . . . 0.0 109.481 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' LEU . 79.9 mt -101.21 -56.84 2.21 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.069 -1.02 . . . . 0.0 110.4 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' N ' ' HD2' ' A' ' 65' ' ' PRO . 4.0 mm? -39.72 -57.54 2.5 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.714 -0.616 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 64' ' ' LEU . 24.3 Cg_exo . . . . . 0 C--N 1.309 -1.506 0 C-N-CA 121.66 1.574 . . . . 0.0 111.551 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.87 149.08 47.39 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -108.02 125.82 52.0 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.688 -0.889 . . . . 0.0 109.915 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -73.43 129.8 38.77 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.488 -0.758 . . . . 0.0 109.963 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -152.14 164.09 38.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.314 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -136.63 144.2 43.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.685 -0.634 . . . . 0.0 109.415 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -96.22 113.92 25.56 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.405 -0.81 . . . . 0.0 109.761 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -166.03 138.21 3.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.444 -0.785 . . . . 0.0 108.935 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.8 t -66.58 147.03 53.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.451 -0.781 . . . . 0.0 110.881 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -149.66 149.7 31.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.548 -0.72 . . . . 0.0 109.674 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.1 mtp -83.48 151.08 25.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.486 -0.759 . . . . 0.0 110.199 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.613 HD11 ' CD1' ' A' ' 55' ' ' TRP . 4.0 mt -77.0 164.55 58.43 Favored Pre-proline 0 C--N 1.304 -1.399 0 O-C-N 121.432 -0.793 . . . . 0.0 109.856 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.19 154.03 36.39 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.47 2.113 . . . . 0.0 113.012 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -60.2 -39.1 85.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.552 -0.717 . . . . 0.0 109.739 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.72 -44.33 97.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.066 -1.021 . . . . 0.0 109.564 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -67.78 -37.9 82.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.259 -0.901 . . . . 0.0 109.566 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.28 -42.81 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.441 -0.787 . . . . 0.0 109.18 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -60.88 -49.76 76.16 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.224 -0.922 . . . . 0.0 109.666 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.52 -45.02 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.252 -0.905 . . . . 0.0 109.761 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.81 -42.53 94.93 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.781 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -66.58 -39.92 88.69 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.523 -0.736 . . . . 0.0 109.398 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -58.94 -44.25 91.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.387 -0.821 . . . . 0.0 109.379 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.526 ' CG ' HD21 ' A' ' 41' ' ' LEU . 75.2 t-105 -62.42 -47.12 85.48 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.346 -0.847 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.87 -43.31 96.46 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.427 -0.796 . . . . 0.0 109.464 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -61.19 -42.84 99.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.514 -0.741 . . . . 0.0 109.549 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.62 -33.66 69.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.443 -0.785 . . . . 0.0 109.892 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -118.9 57.83 0.86 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.429 0.633 . . . . 0.0 109.793 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -68.32 -37.94 81.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.566 -0.709 . . . . 0.0 109.502 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.517 ' C ' ' H ' ' A' ' 31' ' ' ALA . 36.0 m-85 -63.23 -72.09 0.15 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.531 -0.731 . . . . 0.0 110.189 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -71.78 33.68 0.06 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.506 -0.746 . . . . 0.0 109.75 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 29' ' ' TYR . . . -75.36 -7.59 54.4 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CE2' ' OE1' ' A' ' 77' ' ' GLN . 28.8 m-85 -52.85 153.44 5.93 Favored Pre-proline 0 C--N 1.305 -1.365 0 O-C-N 121.372 -0.83 . . . . 0.0 109.875 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.57 130.05 21.27 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.053 1.835 . . . . 0.0 112.85 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 p -156.62 141.49 17.06 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.511 -0.743 . . . . 0.0 109.402 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.98 -35.06 74.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.51 -0.744 . . . . 0.0 109.685 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.512 ' CD ' ' H ' ' A' ' 36' ' ' GLN . 28.1 mp0 -61.82 -43.33 99.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.357 -0.839 . . . . 0.0 109.697 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -68.1 -45.29 74.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.267 -0.895 . . . . 0.0 109.595 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -63.51 -42.79 98.47 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.395 -0.816 . . . . 0.0 109.674 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.99 -42.97 79.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.321 -0.862 . . . . 0.0 109.885 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.03 -46.34 84.87 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.258 -0.901 . . . . 0.0 109.965 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.526 HD21 ' CG ' ' A' ' 23' ' ' TRP . 98.2 mt -65.38 -39.56 92.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.455 -0.778 . . . . 0.0 109.447 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 t -59.72 -44.73 93.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.471 -0.768 . . . . 0.0 109.875 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.36 -40.07 85.76 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.178 -0.951 . . . . 0.0 109.435 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.33 -42.49 88.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.875 . . . . 0.0 109.925 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 p -91.4 167.66 12.11 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.188 -0.945 . . . . 0.0 109.91 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -97.16 16.04 20.93 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.44 159.42 14.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.427 -0.796 . . . . 0.0 110.081 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 p -75.55 167.16 22.42 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.721 0.772 . . . . 0.0 110.423 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.9 m -61.9 -42.65 99.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.601 -0.687 . . . . 0.0 109.702 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 50' ' ' LEU . 4.0 mm? -62.17 -42.81 99.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 0.0 109.83 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -64.61 -46.78 81.17 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.232 -0.918 . . . . 0.0 109.621 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.16 -43.46 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.321 -0.862 . . . . 0.0 109.715 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.9 t -62.34 -50.16 72.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 0.0 109.843 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -64.12 -41.95 97.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 0.0 109.154 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.613 ' CD1' HD11 ' A' ' 12' ' ' LEU . 75.4 t90 -65.49 -39.67 92.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.544 -0.723 . . . . 0.0 109.094 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.63 -44.26 97.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.419 -0.801 . . . . 0.0 109.517 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.49 -44.65 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 0.0 109.643 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.574 ' ND2' ' CZ ' ' A' ' 62' ' ' ARG . 66.6 t30 -74.43 -51.68 14.22 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.359 -0.838 . . . . 0.0 110.09 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB2' ' CE2' ' A' ' 55' ' ' TRP . . . -58.59 -48.09 82.12 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.373 -0.829 . . . . 0.0 109.67 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.486 HH12 ' NE2' ' A' ' 77' ' ' GLN . 72.6 ttp85 -61.68 -43.34 99.05 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.44 -0.788 . . . . 0.0 109.478 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -65.66 -17.13 64.38 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.853 . . . . 0.0 110.26 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.574 ' CZ ' ' ND2' ' A' ' 58' ' ' ASN . 90.6 mtm180 -108.72 -17.61 13.91 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.393 -0.817 . . . . 0.0 110.371 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.5 mt -95.98 -44.23 7.45 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.126 -0.984 . . . . 0.0 110.984 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.501 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.1 tp -56.91 -45.69 99.93 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.156 -0.965 . . . . 0.0 111.054 -178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 32.4 Cg_exo -54.76 -44.6 48.1 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 121.432 1.421 . . . . 0.0 111.766 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.39 -48.4 67.48 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.354 0.597 . . . . 0.0 110.117 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.3 mmt -67.24 -42.29 84.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.357 -0.84 . . . . 0.0 110.158 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.458 HD22 ' O ' ' A' ' 74' ' ' ASP . 66.3 mt -64.25 -44.51 91.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -67.13 -40.27 86.75 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.173 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -65.03 -45.11 86.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.619 -0.676 . . . . 0.0 109.503 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -82.59 -74.09 0.37 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.346 -0.846 . . . . 0.0 109.524 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.91 42.94 3.43 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -106.7 -20.25 13.41 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.509 -0.995 . . . . 0.0 108.985 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.458 ' O ' HD22 ' A' ' 68' ' ' LEU . 4.4 p-10 -170.75 67.29 0.49 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.271 -0.893 . . . . 0.0 109.538 179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.93 111.13 2.91 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.393 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -165.61 -176.09 3.78 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.63 -0.669 . . . . 0.0 109.62 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.503 ' OE1' ' CE2' ' A' ' 32' ' ' TYR . 65.9 tt0 54.39 104.6 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.681 -0.637 . . . . 0.0 110.541 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 77' ' ' GLN . 93.8 m-85 36.25 96.31 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.573 0.701 . . . . 0.0 110.893 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.7 p -92.42 6.63 46.31 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.6 tt -51.04 143.96 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-O 121.764 0.792 . . . . 0.0 110.354 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.4 t -61.8 -141.64 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.602 0.715 . . . . 0.0 110.714 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -85.93 49.94 1.88 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.504 -0.748 . . . . 0.0 109.855 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 53.59 82.2 0.08 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.577 -0.702 . . . . 0.0 110.13 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.71 -100.64 0.45 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 61.04 28.26 18.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.539 -0.977 . . . . 0.0 109.419 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -97.12 0.01 47.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -0.834 . . . . 0.0 108.944 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 87' ' ' ILE . 1.7 mp -81.43 131.58 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -0.896 . . . . 0.0 109.752 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.7 t -162.2 125.09 2.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.395 -0.816 . . . . 0.0 109.341 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 117.792 -1.099 . . . . 0.0 108.841 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.502 0.668 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.16 -106.48 0.2 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 45.12 85.01 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.882 0.849 . . . . 0.0 109.727 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -81.43 136.61 35.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.518 -0.739 . . . . 0.0 110.21 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -68.45 -34.49 76.07 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.55 0.691 . . . . 0.0 109.726 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.576 ' O ' ' N ' ' A' ' 8' ' ' HIS . 96.3 m-70 -58.31 -41.27 84.12 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.297 -0.877 . . . . 0.0 109.597 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.8 t60 59.61 -69.84 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 121.419 0.628 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.576 ' N ' ' O ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -151.19 149.52 29.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.121 -0.987 . . . . 0.0 109.845 -179.694 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 p -160.04 163.92 33.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.375 -0.828 . . . . 0.0 110.093 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -61.31 -148.66 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.775 0.797 . . . . 0.0 111.322 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 79.0 mtm -77.89 -170.49 1.91 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.737 0.78 . . . . 0.0 110.602 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.82 159.73 80.99 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.609 -0.682 . . . . 0.0 110.557 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' HG23 ' A' ' 17' ' ' VAL . 69.4 Cg_exo -50.37 146.03 19.86 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.502 2.135 . . . . 0.0 113.278 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.71 -43.2 94.22 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.435 0.636 . . . . 0.0 109.522 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.29 -45.91 91.15 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.124 -0.985 . . . . 0.0 109.612 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.4 p -69.1 -39.8 78.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.259 -0.901 . . . . 0.0 109.806 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 13' ' ' PRO . 49.9 t -65.16 -43.65 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.403 -0.811 . . . . 0.0 109.484 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -62.32 -43.34 99.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.44 -0.787 . . . . 0.0 109.713 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.89 -46.15 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.205 -0.934 . . . . 0.0 109.405 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.71 -41.88 87.26 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.382 -0.824 . . . . 0.0 109.39 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -64.59 -41.55 96.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.484 -0.76 . . . . 0.0 109.195 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.02 -40.42 95.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.412 -0.805 . . . . 0.0 109.145 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.571 ' CE3' HD21 ' A' ' 41' ' ' LEU . 45.4 t-105 -59.81 -47.82 84.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.909 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.83 -42.7 97.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.405 -0.809 . . . . 0.0 109.86 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -63.47 -39.1 93.55 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.297 -0.877 . . . . 0.0 109.433 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -65.48 -38.51 89.98 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.384 -0.822 . . . . 0.0 109.604 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.465 ' ND1' ' N ' ' A' ' 80' ' ' ILE . 17.4 m-70 -127.1 70.21 1.29 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.314 -0.866 . . . . 0.0 109.043 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' CD ' ' SD ' ' A' ' 67' ' ' MET . 88.6 mtm180 -67.16 -39.21 86.47 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.573 -0.704 . . . . 0.0 109.596 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.412 ' C ' ' H ' ' A' ' 31' ' ' ALA . 71.5 m-85 -66.51 -34.0 76.95 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.363 -0.836 . . . . 0.0 109.75 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' A' ' 32' ' ' TYR . 62.3 t-20 -72.03 47.21 0.15 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 108.795 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 29' ' ' TYR . . . -72.08 36.98 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.588 0.709 . . . . 0.0 109.445 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.498 ' H ' ' C ' ' A' ' 30' ' ' ASN . 24.2 m-85 -136.91 76.3 46.63 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -58.67 146.47 91.8 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 123.183 2.589 . . . . 0.0 112.306 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.8 m -125.45 157.34 37.18 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.802 0.81 . . . . 0.0 110.024 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -52.26 -40.17 61.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.645 -0.659 . . . . 0.0 109.487 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -66.17 -40.57 90.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.392 -0.817 . . . . 0.0 109.087 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.484 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 79.7 tt0 -68.89 -40.65 79.08 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.387 -0.821 . . . . 0.0 109.688 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.52 -41.54 98.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.289 -0.882 . . . . 0.0 109.707 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.21 83.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.152 -0.968 . . . . 0.0 109.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -62.5 -48.38 79.8 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.905 . . . . 0.0 109.587 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.571 HD21 ' CE3' ' A' ' 23' ' ' TRP . 81.9 mt -68.2 -40.18 82.23 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.471 -0.768 . . . . 0.0 110.253 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' THR . 11.4 t -62.16 -41.21 98.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.345 -0.847 . . . . 0.0 109.739 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -64.06 -41.01 97.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 0.0 109.437 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -65.58 -42.83 91.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -0.878 . . . . 0.0 109.933 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' SER . 80.5 p -98.18 177.98 5.22 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 0.0 109.898 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -99.56 36.61 1.74 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.66 -0.65 . . . . 0.0 109.539 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -115.23 149.07 38.32 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.83 0.824 . . . . 0.0 110.008 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -80.71 173.46 12.59 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.845 0.831 . . . . 0.0 110.523 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -62.49 -44.0 97.45 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 121.598 0.713 . . . . 0.0 109.878 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.94 -42.48 99.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.913 . . . . 0.0 109.713 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -64.26 -44.88 90.4 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.364 -0.835 . . . . 0.0 109.632 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.37 -43.75 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.433 -0.792 . . . . 0.0 109.827 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.3 t -60.89 -42.65 98.4 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.2 -0.938 . . . . 0.0 109.548 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -64.81 -40.38 95.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.414 -0.804 . . . . 0.0 109.396 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.63 -40.46 97.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.525 -0.735 . . . . 0.0 109.569 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -61.52 -46.62 89.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.188 -0.945 . . . . 0.0 110.135 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.57 -48.82 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.26 -0.9 . . . . 0.0 110.499 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -75.15 -44.04 49.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.237 -0.915 . . . . 0.0 110.604 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.68 -51.75 38.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.319 -0.863 . . . . 0.0 111.151 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -60.99 -44.92 96.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.259 -0.901 . . . . 0.0 109.941 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -65.92 -35.79 81.59 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.307 -0.87 . . . . 0.0 110.01 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -87.02 -13.22 45.04 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.175 -0.953 . . . . 0.0 110.222 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' O ' ' CB ' ' A' ' 67' ' ' MET . 39.8 mt -98.77 -32.58 11.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.125 -0.984 . . . . 0.0 110.293 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -58.3 -48.47 96.94 Favored Pre-proline 0 C--N 1.297 -1.698 0 O-C-N 121.13 -0.981 . . . . 0.0 110.515 -179.294 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 37.7 Cg_exo -54.99 -52.9 6.88 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 121.601 1.534 . . . . 0.0 111.897 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -76.22 -42.65 45.33 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.659 0.743 . . . . 0.0 110.171 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.482 ' SD ' ' CD ' ' A' ' 28' ' ' ARG . 57.9 ttm -61.73 -46.82 87.99 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.342 -0.849 . . . . 0.0 109.989 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.68 -42.58 95.24 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.431 -0.793 . . . . 0.0 110.071 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -64.76 -41.72 95.68 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.711 0.767 . . . . 0.0 109.034 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.41 -45.69 86.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.609 -0.682 . . . . 0.0 109.842 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -157.68 79.84 0.87 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.111 -0.993 . . . . 0.0 109.459 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' ASP . . . -59.97 -142.53 0.01 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 5.2 mptp? -47.26 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.588 -0.949 . . . . 0.0 109.999 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' GLY . 12.1 m-20 -158.89 76.91 3.22 Favored Pre-proline 0 C--N 1.302 -1.486 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.28 141.53 88.51 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.531 2.154 . . . . 0.0 111.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -164.13 -48.66 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.397 -0.815 . . . . 0.0 109.034 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -79.77 144.83 33.23 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 121.797 0.808 . . . . 0.0 110.344 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -58.47 105.28 0.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.687 0.756 . . . . 0.0 110.11 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.555 ' O ' ' N ' ' A' ' 81' ' ' SER . 44.6 p -88.94 162.16 16.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.683 -0.636 . . . . 0.0 110.559 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.465 ' N ' ' ND1' ' A' ' 27' ' ' HIS . 47.1 pt 33.8 28.24 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 CA-C-O 121.57 0.7 . . . . 0.0 110.874 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 79' ' ' THR . 32.6 m -92.99 -71.06 0.67 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.304 -0.872 . . . . 0.0 109.792 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -69.81 -1.02 8.16 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.23 -0.918 . . . . 0.0 109.284 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -67.5 133.82 50.2 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.775 0.797 . . . . 0.0 110.358 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.54 29.68 54.97 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.33 144.28 20.97 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.445 -1.032 . . . . 0.0 110.604 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.65 146.22 36.23 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.649 0.737 . . . . 0.0 110.098 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 88' ' ' SER . 19.5 tt -92.99 -5.88 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 CA-C-O 121.697 0.761 . . . . 0.0 109.375 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 87' ' ' ILE . 27.9 t 50.62 176.56 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.9 0.857 . . . . 0.0 110.904 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' N ' ' OG ' ' A' ' 88' ' ' SER . 17.2 pt-20 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.852 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ptm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.76 -176.9 53.43 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -105.02 123.53 47.96 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.584 -0.951 . . . . 0.0 109.631 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -167.54 127.7 1.42 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 109.52 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -152.88 124.29 7.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.25 -0.906 . . . . 0.0 110.08 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.552 ' CG ' ' H ' ' A' ' 7' ' ' HIS . 1.4 t-80 39.81 -157.52 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.664 0.745 . . . . 0.0 111.122 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.552 ' H ' ' CG ' ' A' ' 6' ' ' HIS . 77.6 m80 42.69 89.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.609 -0.682 . . . . 0.0 110.429 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 8' ' ' HIS . 40.6 p-80 -142.08 93.68 2.57 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.495 -0.753 . . . . 0.0 109.696 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' HIS . 81.6 p 41.26 -166.38 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.805 0.812 . . . . 0.0 110.845 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' LEU . 78.8 m80 -150.19 22.1 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 78.3 mtm 42.09 -96.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.564 0.697 . . . . 0.0 110.692 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' HIS . 12.1 mt -79.52 150.88 73.98 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.506 -0.747 . . . . 0.0 109.804 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.86 150.6 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.467 2.111 . . . . 0.0 113.246 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.15 -41.58 97.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.586 -0.696 . . . . 0.0 109.675 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.74 -48.74 78.77 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.141 -0.975 . . . . 0.0 109.396 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.1 m -62.2 -42.94 99.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.312 -0.868 . . . . 0.0 109.414 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.4 t -64.17 -44.04 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.832 . . . . 0.0 109.661 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.17 -46.03 90.76 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.29 -0.881 . . . . 0.0 110.013 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.21 -46.79 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.051 -1.031 . . . . 0.0 109.641 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.38 -41.48 89.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.4 -0.813 . . . . 0.0 109.657 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -62.66 -40.56 97.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.835 . . . . 0.0 109.343 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.2 -46.76 87.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.235 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.443 ' CD1' HD21 ' A' ' 41' ' ' LEU . 59.9 t-105 -61.4 -47.07 87.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.9 . . . . 0.0 109.157 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' ARG . 56.7 tp -63.2 -41.65 99.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.36 -0.837 . . . . 0.0 109.209 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -59.69 -47.3 86.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.455 -0.778 . . . . 0.0 109.514 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.89 -37.92 85.3 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.167 -0.958 . . . . 0.0 109.508 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -102.01 23.71 11.12 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.424 -0.798 . . . . 0.0 109.304 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 24' ' ' LEU . 39.4 ptt180 -50.58 -25.04 3.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 108.966 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -76.39 -97.38 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.484 -0.76 . . . . 0.0 109.63 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.16 113.01 19.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.834 . . . . 0.0 110.187 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.62 83.55 0.97 Allowed 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 3.1 p90 -97.57 151.88 37.87 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.29 -0.881 . . . . 0.0 109.649 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.42 125.58 14.17 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.185 1.923 . . . . 0.0 111.848 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.0 p -158.99 162.12 36.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.263 -0.898 . . . . 0.0 109.681 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -65.35 -35.92 82.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.276 -0.89 . . . . 0.0 109.471 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.54 -45.97 88.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.922 . . . . 0.0 109.779 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -68.04 -43.67 78.18 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.05 -1.031 . . . . 0.0 109.473 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.463 ' CE ' ' SG ' ' A' ' 53' ' ' CYS . 63.4 mttp -63.25 -42.23 99.14 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.177 -0.952 . . . . 0.0 109.347 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.2 98.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.346 -0.846 . . . . 0.0 110.03 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 40' ' ' LEU . 3.2 tt -63.05 -44.84 94.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.077 -1.014 . . . . 0.0 109.193 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 23' ' ' TRP . 92.9 mt -64.05 -40.52 96.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.679 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -59.81 -42.8 94.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 109.241 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.24 -40.45 97.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.905 . . . . 0.0 109.485 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.95 -41.14 91.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.099 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.2 p -106.82 -164.44 0.99 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.432 -0.793 . . . . 0.0 109.908 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -129.16 37.9 3.98 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.6 mt -111.28 150.98 28.86 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.554 -0.716 . . . . 0.0 109.86 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.4 p -72.73 167.91 19.85 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.548 0.689 . . . . 0.0 110.22 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.9 p -64.62 -32.38 74.01 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.485 -0.759 . . . . 0.0 109.797 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.83 -45.1 95.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.172 -0.955 . . . . 0.0 109.447 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -68.2 -41.54 81.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 0.0 109.863 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.4 t -64.13 -43.84 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.457 -0.777 . . . . 0.0 110.105 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.463 ' SG ' ' CE ' ' A' ' 38' ' ' LYS . 79.1 m -61.18 -52.08 66.34 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.135 -0.978 . . . . 0.0 110.042 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -64.78 -42.68 94.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.141 -0.974 . . . . 0.0 109.888 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -67.12 -41.42 86.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.0 110.145 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.07 -46.71 89.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.158 -0.964 . . . . 0.0 110.027 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.02 -45.11 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 109.894 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -72.32 -48.01 45.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.289 -0.882 . . . . 0.0 110.25 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.54 92.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.353 -0.842 . . . . 0.0 109.62 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -64.96 -42.13 94.87 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -0.871 . . . . 0.0 109.377 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -66.5 -19.06 65.69 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.182 -0.949 . . . . 0.0 109.852 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -105.6 -22.67 12.93 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.229 -0.919 . . . . 0.0 110.5 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.21 -28.07 12.13 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.133 -0.979 . . . . 0.0 110.806 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 6.0 tp -70.12 -36.31 6.03 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.02 -1.05 . . . . 0.0 110.982 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 36.1 Cg_exo -59.26 -47.49 17.06 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.525 1.483 . . . . 0.0 111.443 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.532 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 99.6 m-20 -64.57 -44.94 89.13 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.637 -0.664 . . . . 0.0 110.061 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 21.4 mmt -62.86 -44.95 94.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.158 -0.964 . . . . 0.0 110.171 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.68 -44.2 91.12 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.171 -0.956 . . . . 0.0 109.613 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.532 ' NH2' ' OD1' ' A' ' 66' ' ' ASP . 88.3 mtm180 -68.66 -37.65 79.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.331 -0.855 . . . . 0.0 109.426 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.12 -45.66 93.79 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.419 -0.801 . . . . 0.0 109.657 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' OD2' ' CZ ' ' A' ' 28' ' ' ARG . 93.4 m-20 -85.35 -8.56 58.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.101 -0.999 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.7 -6.16 2.88 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 71' ' ' ASP . 47.2 tttp -86.15 142.58 28.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -1.122 . . . . 0.0 110.079 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -137.27 78.2 39.88 Favored Pre-proline 0 N--CA 1.495 1.795 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -77.1 119.21 4.96 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.119 1.88 . . . . 0.0 111.529 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' A' ' 76' ' ' ASN . 42.3 p-10 -85.47 113.57 21.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -0.899 . . . . 0.0 110.214 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -151.59 -49.11 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.547 -0.72 . . . . 0.0 109.455 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -83.54 113.32 20.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.915 -1.115 . . . . 0.0 109.207 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.8 p -99.08 -14.97 19.18 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.424 -0.798 . . . . 0.0 109.357 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.5 mm -72.28 -2.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.267 -0.896 . . . . 0.0 109.301 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.2 p -79.78 167.28 20.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.425 -0.797 . . . . 0.0 110.481 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -81.79 -9.04 59.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.523 -0.735 . . . . 0.0 109.68 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -95.33 -5.2 43.98 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.09 -1.007 . . . . 0.0 108.541 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.74 -73.13 1.28 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.41 141.83 56.91 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.382 -1.07 . . . . 0.0 109.995 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -85.52 134.57 34.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.525 -0.735 . . . . 0.0 109.53 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.5 pt -119.85 -5.24 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.39 -0.819 . . . . 0.0 109.213 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.5 t -161.47 125.69 3.38 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.891 . . . . 0.0 109.511 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 117.883 -1.055 . . . . 0.0 109.598 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' A' ' 1' ' ' MET . 3.7 ppp? . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.651 0.739 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.48 -2.34 82.66 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -92.26 163.8 13.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.423 -1.045 . . . . 0.0 110.16 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -66.05 121.69 15.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.328 -0.858 . . . . 0.0 110.066 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -170.64 -60.48 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -66.55 -44.56 82.03 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.478 -0.764 . . . . 0.0 110.064 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -155.56 164.38 38.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.939 -1.1 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.667 ' CG ' ' H ' ' A' ' 9' ' ' SER . 9.8 t-80 -78.05 -148.63 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.329 -0.857 . . . . 0.0 110.754 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.667 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 69.2 m -76.59 -2.9 34.85 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.466 -0.771 . . . . 0.0 109.16 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -148.31 158.41 44.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.215 -0.928 . . . . 0.0 109.86 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.479 ' SD ' ' N ' ' A' ' 11' ' ' MET . 2.5 mpp? -83.82 -75.54 0.33 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.466 -0.771 . . . . 0.0 110.068 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD11 ' CD1' ' A' ' 55' ' ' TRP . 10.3 mt -76.58 151.59 82.88 Favored Pre-proline 0 C--N 1.299 -1.607 0 O-C-N 121.393 -0.817 . . . . 0.0 109.495 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' O ' HG23 ' A' ' 17' ' ' VAL . 81.1 Cg_exo -44.05 162.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.482 2.121 . . . . 0.0 113.191 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -61.22 -41.98 97.8 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.615 -0.678 . . . . 0.0 110.033 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.12 -48.24 82.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.154 -0.966 . . . . 0.0 110.231 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -65.38 -41.28 93.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.143 -0.973 . . . . 0.0 109.639 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 13' ' ' PRO . 56.0 t -62.35 -44.55 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.385 -0.822 . . . . 0.0 109.205 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -62.92 -47.91 81.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.961 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.93 -47.04 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.038 -1.039 . . . . 0.0 109.866 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.53 -42.92 91.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.238 -0.914 . . . . 0.0 109.611 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -66.03 -38.87 89.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.489 -0.757 . . . . 0.0 109.479 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' OD2' ' NH2' ' A' ' 83' ' ' ARG . 65.2 t0 -53.5 -46.34 70.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.474 -0.766 . . . . 0.0 109.428 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.435 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 14.3 m95 -51.92 -55.55 19.51 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 0.0 109.894 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 24' ' ' LEU . 10.1 mp -62.95 -38.42 91.01 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.535 -0.728 . . . . 0.0 109.444 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.647 ' CD2' ' NH2' ' A' ' 28' ' ' ARG . 30.5 t80 -58.4 -42.04 86.24 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.302 -0.874 . . . . 0.0 109.161 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.91 -43.62 94.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 109.482 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -143.73 81.24 1.69 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.922 . . . . 0.0 109.019 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.647 ' NH2' ' CD2' ' A' ' 25' ' ' TYR . 83.3 mtt85 -61.42 -40.96 96.33 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.391 -0.818 . . . . 0.0 109.613 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -75.7 -77.18 0.13 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.506 -0.746 . . . . 0.0 110.207 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.74 62.62 0.27 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.369 -0.832 . . . . 0.0 109.781 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.4 -107.1 0.11 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.444 -0.785 . . . . 0.0 109.653 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CE2' ' NH1' ' A' ' 60' ' ' ARG . 25.7 m-85 41.64 68.75 2.4 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.711 -0.618 . . . . 0.0 110.187 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -59.82 144.24 99.48 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.637 2.225 . . . . 0.0 112.359 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 m -76.41 175.4 9.19 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.885 0.85 . . . . 0.0 110.527 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -58.93 -27.57 65.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.67 -0.643 . . . . 0.0 109.456 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.8 -41.78 97.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.314 -0.866 . . . . 0.0 109.79 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 55.4 mp0 -70.97 -38.12 72.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.848 . . . . 0.0 109.715 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.57 -45.43 94.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.103 -0.998 . . . . 0.0 109.764 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.71 -37.56 76.62 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.238 -0.914 . . . . 0.0 109.268 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.53 -44.93 92.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.382 -0.824 . . . . 0.0 109.597 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.45 -41.39 96.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.365 -0.834 . . . . 0.0 109.01 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -63.23 -35.68 81.14 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -71.18 -43.72 66.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.457 -0.777 . . . . 0.0 109.337 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.51 -43.52 85.06 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.354 -0.842 . . . . 0.0 109.803 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.6 p -95.14 168.86 10.49 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.258 -0.901 . . . . 0.0 109.682 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -93.15 10.42 31.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.614 -0.679 . . . . 0.0 109.4 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -90.69 155.28 18.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.248 -0.908 . . . . 0.0 109.982 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.6 p -76.6 165.93 24.1 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.908 0.861 . . . . 0.0 110.729 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 78.8 m -63.27 -42.4 99.12 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.492 0.663 . . . . 0.0 109.636 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.57 -42.04 95.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.201 -0.937 . . . . 0.0 109.454 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -63.15 -39.17 93.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 0.0 109.298 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.72 -44.08 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.893 . . . . 0.0 109.337 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -44.96 94.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.0 109.682 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -64.03 -41.52 97.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.384 -0.822 . . . . 0.0 109.261 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.513 ' CD1' HD11 ' A' ' 12' ' ' LEU . 72.1 t90 -66.41 -38.45 87.49 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.617 0.722 . . . . 0.0 109.257 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -60.71 -46.29 90.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.402 -0.811 . . . . 0.0 109.96 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.72 -49.59 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.271 -0.893 . . . . 0.0 110.125 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.646 HD21 ' NH2' ' A' ' 62' ' ' ARG . 27.0 t-20 -69.0 -42.24 76.73 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.305 -0.872 . . . . 0.0 110.253 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.488 ' CB ' ' CZ3' ' A' ' 55' ' ' TRP . . . -67.05 -39.18 86.88 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.432 -0.792 . . . . 0.0 110.181 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.603 ' NH1' ' CE2' ' A' ' 32' ' ' TYR . 62.5 ttp180 -64.68 -43.81 92.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 109.837 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -80.95 -10.35 59.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.481 -0.762 . . . . 0.0 110.249 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.646 ' NH2' HD21 ' A' ' 58' ' ' ASN . 44.9 ttm180 -103.65 -26.34 12.82 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.249 -0.907 . . . . 0.0 109.954 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.3 mt -87.19 -48.28 8.17 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.085 -1.009 . . . . 0.0 111.218 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.409 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.2 mp -49.21 -50.82 61.75 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.152 -0.967 . . . . 0.0 111.322 -178.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 32.3 Cg_exo -54.45 -47.09 28.77 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 121.534 1.49 . . . . 0.0 111.902 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.22 -46.59 32.93 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.651 -0.656 . . . . 0.0 110.594 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 19.9 mmt -63.81 -43.31 96.66 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.28 -0.887 . . . . 0.0 110.213 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.4 mt -64.56 -42.44 95.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.209 -0.932 . . . . 0.0 109.824 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -75.35 -24.64 57.35 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.433 -0.792 . . . . 0.0 109.403 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.1 -45.52 91.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.832 . . . . 0.0 109.694 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -136.18 -39.22 0.68 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.466 -0.771 . . . . 0.0 109.188 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.99 13.76 72.83 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -88.42 162.27 16.59 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.373 -1.075 . . . . 0.0 110.228 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 74' ' ' ASP . 11.4 t70 -134.14 68.47 74.03 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.517 -0.74 . . . . 0.0 109.196 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.427 ' HG2' ' H ' ' A' ' 76' ' ' ASN . 64.3 Cg_endo -79.27 -76.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.904 2.403 . . . . 0.0 112.303 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.427 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 96.2 m-20 -73.71 110.19 7.8 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.485 -0.759 . . . . 0.0 109.886 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.406 ' NE2' ' OD2' ' A' ' 74' ' ' ASP . 5.1 tp-100 -129.92 61.97 1.56 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 79' ' ' THR . 21.6 t80 -85.87 143.34 28.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.529 -0.732 . . . . 0.0 110.08 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.473 ' OG1' ' N ' ' A' ' 80' ' ' ILE . 71.8 p -43.38 -96.25 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.531 -0.731 . . . . 0.0 110.519 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.473 ' N ' ' OG1' ' A' ' 79' ' ' THR . 96.9 mt -101.97 -35.62 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.262 -0.899 . . . . 0.0 108.853 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 t 48.94 81.03 0.06 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.645 0.736 . . . . 0.0 109.601 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -95.88 124.15 39.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.413 -0.804 . . . . 0.0 109.929 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.477 ' NH2' ' OD2' ' A' ' 22' ' ' ASP . 95.9 mtt-85 -67.14 -37.89 84.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.623 -0.673 . . . . 0.0 109.333 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.517 ' C ' ' H ' ' A' ' 86' ' ' LYS . . . 91.06 -67.26 2.38 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.671 -1.371 . . . . 0.0 109.671 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 55.38 4.11 0.09 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.463 -1.022 . . . . 0.0 109.49 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' A' ' 84' ' ' GLY . 38.7 ttpt -83.35 140.01 32.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 110.151 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' A' ' 88' ' ' SER . 96.6 mt -79.35 130.81 35.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.419 -0.8 . . . . 0.0 110.401 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 87' ' ' ILE . 3.3 p 75.58 135.92 0.06 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.775 0.797 . . . . 0.0 110.331 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 . . . . . 0 C--N 1.304 -1.381 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.478 -179.819 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptm . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.4 0.619 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.95 175.13 50.23 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -87.3 133.21 33.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.337 -1.096 . . . . 0.0 109.967 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -66.3 -39.09 89.1 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.383 -0.823 . . . . 0.0 109.813 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -60.66 -44.97 95.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.135 -0.978 . . . . 0.0 110.049 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -167.63 125.84 1.25 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.001 -1.062 . . . . 0.0 109.768 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -78.56 162.32 26.38 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.518 -0.739 . . . . 0.0 110.064 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -134.86 140.34 45.74 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.344 -0.848 . . . . 0.0 110.067 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -165.72 127.51 1.97 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.367 -0.833 . . . . 0.0 109.26 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -61.09 -41.91 97.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.128 -0.982 . . . . 0.0 109.764 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.92 -118.24 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.106 -0.996 . . . . 0.0 109.607 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.6 mt -85.38 151.52 56.45 Favored Pre-proline 0 N--CA 1.488 1.425 0 O-C-N 121.276 -0.89 . . . . 0.0 108.896 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -43.57 146.43 1.34 Allowed 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.044 1.83 . . . . 0.0 112.69 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.95 -38.8 89.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.492 -0.755 . . . . 0.0 109.838 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -58.23 -48.17 81.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.248 -0.907 . . . . 0.0 109.838 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -65.45 -40.06 92.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 109.45 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.4 t -66.32 -42.4 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.485 -0.759 . . . . 0.0 109.645 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -56.68 -43.78 80.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.869 . . . . 0.0 109.748 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.55 -44.7 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.144 -0.973 . . . . 0.0 109.453 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.83 -42.24 90.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.365 -0.834 . . . . 0.0 109.96 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -65.72 -41.49 92.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 109.868 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -60.29 -36.13 77.16 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.345 -0.847 . . . . 0.0 109.399 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.529 ' CE2' ' OE2' ' A' ' 37' ' ' GLU . 49.7 t90 -60.51 -45.31 94.29 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.411 -0.806 . . . . 0.0 109.61 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ARG . 6.5 mp -65.3 -45.02 86.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 0.0 110.097 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -64.33 -44.94 89.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 109.415 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.91 -32.11 70.25 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.542 -0.724 . . . . 0.0 109.766 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -134.43 58.33 1.77 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.565 -0.709 . . . . 0.0 109.503 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 24' ' ' LEU . 37.7 ptt-85 -68.05 -41.3 82.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 109.207 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.467 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 79.0 t80 -70.15 -43.45 70.87 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.425 -0.797 . . . . 0.0 109.534 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -91.01 42.46 1.1 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.427 -0.796 . . . . 0.0 108.876 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' CB ' HH12 ' A' ' 60' ' ' ARG . . . -91.67 78.79 5.48 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.435 -0.791 . . . . 0.0 108.981 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 21.2 p90 -112.95 96.77 39.54 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.407 -0.808 . . . . 0.0 108.82 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -52.51 136.94 57.63 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.11 1.873 . . . . 0.0 112.65 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 p -159.13 163.89 35.72 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.413 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -68.12 -37.03 80.68 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.439 -0.788 . . . . 0.0 109.429 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 37' ' ' GLU . 16.9 pt20 -65.27 -42.12 93.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.244 -0.91 . . . . 0.0 109.638 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.529 ' OE2' ' CE2' ' A' ' 23' ' ' TRP . 47.0 tp10 -69.95 -47.16 63.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.48 -0.762 . . . . 0.0 109.629 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.35 -38.6 91.61 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.477 -0.764 . . . . 0.0 109.513 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.7 82.63 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.303 -0.873 . . . . 0.0 109.331 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.45 -43.56 97.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.297 -0.877 . . . . 0.0 109.29 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.0 -41.11 97.59 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.553 -0.717 . . . . 0.0 109.455 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 m -60.72 -37.04 80.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.381 -0.824 . . . . 0.0 109.674 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -65.04 -40.41 94.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.112 -0.993 . . . . 0.0 109.691 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -63.94 -40.58 96.78 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.406 -0.809 . . . . 0.0 110.081 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.6 p -100.09 169.9 8.85 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.351 -0.843 . . . . 0.0 109.781 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -99.54 31.7 3.07 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.8 mt -108.86 153.77 23.05 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.552 -0.717 . . . . 0.0 109.321 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.6 p -76.45 167.0 22.62 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.755 0.788 . . . . 0.0 111.214 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -62.41 -40.42 96.48 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.378 0.608 . . . . 0.0 109.788 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.35 -42.51 91.69 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.21 -0.931 . . . . 0.0 109.569 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -65.2 -41.99 93.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.17 -0.956 . . . . 0.0 109.863 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.35 -44.33 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 0.0 109.824 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.0 t -59.37 -43.04 92.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.162 -0.962 . . . . 0.0 109.843 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -64.03 -40.59 96.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.272 -0.893 . . . . 0.0 109.642 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -62.29 -41.59 98.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 0.0 109.972 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -62.82 -43.06 99.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.164 -0.96 . . . . 0.0 109.876 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.0 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.181 -0.949 . . . . 0.0 110.096 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -77.89 -49.95 13.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.03 -1.044 . . . . 0.0 110.341 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.51 86.76 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.496 -0.753 . . . . 0.0 110.231 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.517 HH12 ' CB ' ' A' ' 31' ' ' ALA . 64.5 ttm-85 -63.16 -42.45 99.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.157 -0.965 . . . . 0.0 109.748 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 tpt85 -65.42 -16.67 63.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.447 -0.783 . . . . 0.0 110.417 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -114.1 -6.63 13.08 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.301 -0.875 . . . . 0.0 110.182 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.9 mt -113.75 -61.98 1.66 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.158 -0.964 . . . . 0.0 111.013 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD23 ' HG3' ' A' ' 60' ' ' ARG . 1.2 mm? -43.68 -53.99 11.3 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.359 -0.838 . . . . 0.0 110.746 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.28 -46.53 25.67 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 121.417 1.411 . . . . 0.0 111.804 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.82 -46.48 81.82 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.518 -0.739 . . . . 0.0 110.083 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 84.8 mmm -65.13 -44.05 89.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.448 -0.783 . . . . 0.0 110.111 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.44 HD11 HD12 ' A' ' 64' ' ' LEU . 76.0 mt -65.48 -41.39 93.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.185 -0.947 . . . . 0.0 110.108 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -65.89 -44.19 86.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.108 -0.995 . . . . 0.0 109.938 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -70.76 -49.79 42.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.147 -0.97 . . . . 0.0 109.721 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 73' ' ' LYS . 99.1 m-20 -66.04 -42.9 88.95 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.362 -0.836 . . . . 0.0 109.486 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.32 59.01 8.91 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 71' ' ' ASP . 24.2 pttm -129.23 48.76 2.32 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.51 -0.994 . . . . 0.0 109.154 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 61.35 151.71 0.1 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.684 -0.635 . . . . 0.0 109.715 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.51 142.6 78.79 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.327 2.018 . . . . 0.0 112.01 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 29' ' ' TYR . 64.3 t30 -93.68 -178.48 4.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.372 -0.83 . . . . 0.0 109.99 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.461 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 58.9 tt0 -80.79 108.9 14.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.436 -0.79 . . . . 0.0 109.886 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -108.84 8.12 26.46 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.2 m -63.1 129.03 38.56 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.308 -0.87 . . . . 0.0 109.819 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.7 pt -92.56 133.01 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.305 -0.872 . . . . 0.0 109.929 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 t -84.63 -5.77 59.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.377 -0.827 . . . . 0.0 109.554 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -96.73 -170.93 2.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.299 -0.876 . . . . 0.0 110.395 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -78.12 140.03 39.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.418 -0.801 . . . . 0.0 110.321 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 85' ' ' ALA . . . -89.24 139.43 15.21 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . 49.73 176.37 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.749 -0.853 . . . . 0.0 110.783 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -95.41 -8.45 35.52 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.443 ' O ' ' O ' ' A' ' 88' ' ' SER . 96.6 mt -88.99 -77.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.318 -0.864 . . . . 0.0 109.736 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 87' ' ' ILE . 16.1 m 50.12 101.58 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.48 -0.763 . . . . 0.0 109.819 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.5 ' OE1' ' N ' ' A' ' 89' ' ' GLU . 57.2 mp0 . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.61 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.62 157.9 51.67 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -65.43 -43.48 90.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.499 -1.001 . . . . 0.0 109.865 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -134.82 128.94 33.72 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.344 -0.847 . . . . 0.0 109.874 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -66.54 -45.12 80.46 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.407 -0.808 . . . . 0.0 109.908 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -102.57 -97.3 0.29 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.343 -0.848 . . . . 0.0 109.504 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -168.64 127.68 1.12 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.191 -0.943 . . . . 0.0 109.683 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.7 t60 40.85 90.41 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.645 -0.66 . . . . 0.0 110.196 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -71.06 149.17 46.81 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.578 -0.701 . . . . 0.0 109.533 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -126.9 124.25 39.1 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.583 -0.698 . . . . 0.0 109.316 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.2 ttt -162.34 125.06 2.87 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.184 -0.948 . . . . 0.0 108.827 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.495 HD22 HD13 ' A' ' 47' ' ' LEU . 25.6 mt -82.0 150.18 64.56 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.103 -0.998 . . . . 0.0 109.785 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . 49.1 Cg_endo -67.06 165.65 25.67 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.608 2.205 . . . . 0.0 112.744 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -59.55 -38.9 82.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.744 -0.598 . . . . 0.0 109.581 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -58.07 -54.52 45.97 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 109.466 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -62.89 -41.54 99.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 13' ' ' PRO . 71.8 t -63.93 -43.29 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.438 -0.788 . . . . 0.0 109.938 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -57.19 -46.38 82.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.088 -1.007 . . . . 0.0 109.82 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.67 -45.32 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.988 . . . . 0.0 109.773 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.45 -40.45 93.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.377 -0.827 . . . . 0.0 109.457 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.39 -42.98 97.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.366 -0.834 . . . . 0.0 109.559 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -59.06 -48.15 82.64 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.246 -0.909 . . . . 0.0 109.252 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -64.59 -41.33 96.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.359 -0.838 . . . . 0.0 109.657 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.09 -43.28 99.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.2 -0.937 . . . . 0.0 109.739 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.22 -44.83 96.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.885 . . . . 0.0 109.539 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.44 -37.82 83.59 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.299 -0.875 . . . . 0.0 109.812 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -100.02 24.23 8.83 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.355 -0.841 . . . . 0.0 109.155 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.405 HH12 ' HE3' ' A' ' 67' ' ' MET . 62.3 ttp180 -61.07 -45.96 92.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.337 -0.852 . . . . 0.0 109.393 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -78.37 -34.2 48.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.47 -0.769 . . . . 0.0 109.687 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 31' ' ' ALA . 86.6 m-20 -94.59 20.2 8.82 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.426 -0.796 . . . . 0.0 109.243 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . -37.31 114.84 0.35 Allowed 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 121.346 0.594 . . . . 0.0 110.506 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.552 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 1.1 p90 -160.63 46.7 0.21 Allowed Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.353 -0.842 . . . . 0.0 109.599 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 32' ' ' TYR . 21.4 Cg_endo -60.27 82.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.266 1.978 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 p -89.64 -170.88 2.99 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.681 0.753 . . . . 0.0 110.451 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.52 ' OE2' ' NH1' ' A' ' 83' ' ' ARG . 80.1 mm-40 -58.39 -42.84 87.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.721 -0.612 . . . . 0.0 109.897 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -69.78 -41.63 74.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.157 -0.965 . . . . 0.0 110.086 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -65.51 -43.58 89.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.312 -0.867 . . . . 0.0 109.775 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.591 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 86.3 mttt -63.1 -40.74 98.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.289 -0.882 . . . . 0.0 109.726 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.3 97.19 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.042 -1.036 . . . . 0.0 109.605 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.7 tt -63.0 -48.54 78.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.261 -0.899 . . . . 0.0 109.349 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.2 -41.28 94.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.667 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' HIS . 67.4 m -59.97 -41.96 93.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.325 -0.859 . . . . 0.0 109.645 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -65.04 -39.37 93.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 0.0 109.694 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.01 -39.82 94.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.8 p -93.32 -6.47 47.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.279 -0.888 . . . . 0.0 108.787 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 42' ' ' SER . 54.5 t-80 59.47 20.97 9.38 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.495 HD13 HD22 ' A' ' 12' ' ' LEU . 93.3 mt -94.73 164.39 12.96 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.292 -0.88 . . . . 0.0 109.744 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -75.86 154.63 35.97 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.47 -0.769 . . . . 0.0 110.157 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 m -62.09 -41.03 97.77 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -60.63 -42.96 97.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.388 -0.82 . . . . 0.0 108.982 -178.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.04 -40.94 99.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.83 -43.92 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 0.0 109.63 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.591 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 1.1 t -55.99 -52.28 64.74 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.274 -0.891 . . . . 0.0 109.959 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.44 -41.53 98.66 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.848 . . . . 0.0 109.473 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.65 -41.83 95.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.94 -43.22 98.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.888 . . . . 0.0 110.025 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.31 -49.99 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.166 -0.959 . . . . 0.0 110.311 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.629 ' ND2' ' N ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -77.62 -40.92 40.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.979 -1.076 . . . . 0.0 109.795 -179.306 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.629 ' N ' ' ND2' ' A' ' 58' ' ' ASN . . . -59.26 -48.16 82.67 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.33 -0.857 . . . . 0.0 109.495 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -62.7 -44.62 95.77 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.275 -0.891 . . . . 0.0 109.806 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -68.19 -10.17 52.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 0.0 109.973 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -108.17 -26.63 10.5 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.435 -0.79 . . . . 0.0 110.223 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' LEU . 94.8 mt -96.72 -62.76 1.22 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.114 -0.991 . . . . 0.0 111.349 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -39.78 -59.51 1.69 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.626 -0.671 . . . . 0.0 111.517 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -37.72 -51.78 1.74 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.823 1.682 . . . . 0.0 112.562 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -63.59 -49.17 74.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.835 . . . . 0.0 110.228 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.405 ' HE3' HH12 ' A' ' 28' ' ' ARG . 90.6 mmm -65.11 -38.89 92.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.934 . . . . 0.0 109.911 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.89 -42.87 99.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.425 -0.797 . . . . 0.0 109.67 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -66.32 -38.49 87.8 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 109.378 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -63.82 -47.88 79.03 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.361 -0.837 . . . . 0.0 110.198 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -96.16 10.94 36.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.179 -0.95 . . . . 0.0 109.337 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.43 141.87 4.02 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.76 136.01 57.86 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.375 -1.074 . . . . 0.0 110.192 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -172.55 68.63 0.4 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.605 -0.684 . . . . 0.0 109.197 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.41 -42.7 63.48 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.435 2.09 . . . . 0.0 111.39 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.575 ' O ' ' N ' ' A' ' 78' ' ' PHE . 94.3 m-20 53.5 33.66 16.62 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' PHE . 12.5 pt20 37.73 23.39 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 CA-C-O 120.964 0.412 . . . . 0.0 110.545 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 76' ' ' ASN . 89.2 m-85 36.04 -111.05 0.07 Allowed 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.311 0.577 . . . . 0.0 110.657 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 42.2 p -148.33 -93.2 0.08 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.3 -0.875 . . . . 0.0 109.298 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.0 pt -82.28 147.09 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.456 -0.777 . . . . 0.0 110.385 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 p -65.19 150.27 48.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.443 -0.786 . . . . 0.0 109.737 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.2 165.37 14.5 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.426 -0.796 . . . . 0.0 109.775 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.52 ' NH1' ' OE2' ' A' ' 35' ' ' GLU . 84.3 mtp180 -87.88 6.6 34.73 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.57 160.22 14.6 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 110.185 -1.166 . . . . 0.0 110.185 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.18 139.59 58.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.685 -0.891 . . . . 0.0 110.227 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -96.27 4.54 52.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.346 -0.846 . . . . 0.0 109.007 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 89' ' ' GLU . 25.2 mm -69.26 -76.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.459 -0.776 . . . . 0.0 109.481 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.2 m 43.0 30.23 0.24 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.538 -0.726 . . . . 0.0 109.862 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' H ' HG22 ' A' ' 87' ' ' ILE . 47.9 tp10 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.015 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.0 ttp . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.63 -171.32 35.86 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -80.38 -10.66 59.75 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.525 -0.985 . . . . 0.0 109.54 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -70.77 128.92 37.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.415 -0.803 . . . . 0.0 110.022 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -135.58 138.38 42.91 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.321 -0.862 . . . . 0.0 109.568 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -83.73 133.03 34.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.509 -0.744 . . . . 0.0 109.917 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -88.22 -172.45 3.8 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.327 -0.858 . . . . 0.0 110.247 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -149.19 150.24 32.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.322 -0.861 . . . . 0.0 109.869 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -74.0 152.09 40.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.458 -0.776 . . . . 0.0 110.171 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -75.98 131.03 39.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.802 . . . . 0.0 110.148 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.5 ptm -49.79 178.38 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.606 0.717 . . . . 0.0 110.651 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.64 159.31 85.67 Favored Pre-proline 0 N--CA 1.488 1.457 0 O-C-N 121.603 -0.685 . . . . 0.0 110.233 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.76 151.44 19.61 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 C-N-CA 122.582 2.188 . . . . 0.0 113.299 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.21 -37.3 79.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.787 -0.57 . . . . 0.0 109.537 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.82 -51.21 70.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.297 -0.877 . . . . 0.0 109.772 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.8 m -63.23 -42.83 99.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.87 . . . . 0.0 109.7 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.5 t -64.76 -42.33 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.629 -0.669 . . . . 0.0 109.616 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -55.65 -47.2 77.07 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.917 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.1 -44.81 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.234 -0.916 . . . . 0.0 109.863 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.57 -42.56 95.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.421 -0.799 . . . . 0.0 109.94 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -66.69 -41.59 87.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.369 -0.832 . . . . 0.0 109.435 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.12 -47.48 85.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 0.0 109.745 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.62 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 70.6 t-105 -64.03 -47.62 79.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.41 -0.806 . . . . 0.0 109.815 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.62 -40.38 95.38 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.347 -0.846 . . . . 0.0 109.72 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.471 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 86.9 t80 -58.91 -43.77 91.15 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.429 -0.794 . . . . 0.0 109.887 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.38 -37.14 82.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.191 -0.943 . . . . 0.0 109.683 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.62 ' CE1' ' CE2' ' A' ' 23' ' ' TRP . 46.6 m80 -81.04 -69.38 0.61 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.325 -0.859 . . . . 0.0 109.985 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' NE ' ' O ' ' A' ' 25' ' ' TYR . 83.5 mtm180 54.97 -76.61 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.596 -0.69 . . . . 0.0 110.627 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.578 ' N ' ' O ' ' A' ' 27' ' ' HIS . 98.2 m-85 -59.86 -43.93 94.4 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.195 -0.941 . . . . 0.0 110.081 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ALA . 98.8 m-20 -83.46 -106.09 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 0.0 110.083 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . 41.39 45.78 2.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.687 -0.633 . . . . 0.0 109.447 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -90.7 146.33 33.9 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.461 -0.775 . . . . 0.0 109.417 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -37.21 108.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.659 2.239 . . . . 0.0 112.822 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.5 p -151.73 140.15 20.52 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 109.635 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.12 -34.98 75.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.458 -0.776 . . . . 0.0 109.442 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -62.29 -42.38 99.3 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.477 -0.764 . . . . 0.0 109.657 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.22 -44.25 79.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.357 -0.839 . . . . 0.0 109.731 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.557 ' CE ' ' SG ' ' A' ' 53' ' ' CYS . 54.7 mtpt -64.56 -40.54 95.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.476 -0.765 . . . . 0.0 109.555 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.59 95.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.432 -0.792 . . . . 0.0 109.904 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.5 tt -63.46 -55.85 20.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 109.588 -179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.0 mp -64.08 -41.5 97.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.428 -0.795 . . . . 0.0 110.138 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -60.31 -43.62 96.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.223 -0.923 . . . . 0.0 109.44 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -75.82 -34.31 60.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.282 -0.886 . . . . 0.0 109.458 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.02 -40.31 94.67 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.396 -0.815 . . . . 0.0 109.491 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.6 p -98.96 165.41 11.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.349 -0.844 . . . . 0.0 109.408 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 46' ' ' HIS . 86.4 t60 -89.96 26.19 1.9 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.625 -0.672 . . . . 0.0 109.406 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.0 mt -109.74 149.68 29.43 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.328 -0.857 . . . . 0.0 109.8 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.0 m -73.34 161.17 30.78 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.705 0.764 . . . . 0.0 110.388 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.466 ' O ' ' SG ' ' A' ' 53' ' ' CYS . 10.7 m -61.72 -40.8 96.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.632 -0.668 . . . . 0.0 109.67 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 50' ' ' LEU . 4.5 tt -59.02 -45.39 90.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.167 -0.958 . . . . 0.0 109.495 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.19 -41.88 99.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 109.489 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.82 -41.86 91.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.355 -0.841 . . . . 0.0 109.528 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.557 ' SG ' ' CE ' ' A' ' 38' ' ' LYS . 75.2 m -53.46 -50.54 65.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 110.055 -179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.584 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 83.4 m-20 -63.62 -42.77 98.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.288 -0.882 . . . . 0.0 109.484 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.704 ' HA ' HD22 ' A' ' 58' ' ' ASN . 84.2 t90 -63.86 -40.53 96.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.55 -0.719 . . . . 0.0 109.726 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -62.13 -42.81 99.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.477 -0.764 . . . . 0.0 110.191 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.47 -48.02 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.334 -0.854 . . . . 0.0 110.274 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.704 HD22 ' HA ' ' A' ' 55' ' ' TRP . 10.8 p30 -78.2 -41.17 35.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.186 -0.947 . . . . 0.0 109.801 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' A' ' 58' ' ' ASN . . . -60.53 -48.21 82.77 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.442 -0.787 . . . . 0.0 110.124 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -65.54 -42.51 91.85 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.354 -0.841 . . . . 0.0 109.517 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -73.86 -4.59 35.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.554 -0.717 . . . . 0.0 109.951 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -118.05 -18.58 9.38 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.453 -0.78 . . . . 0.0 109.776 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.9 mt -102.31 -59.12 1.76 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.107 -0.996 . . . . 0.0 111.332 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mp -47.71 -51.7 43.77 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.284 -0.885 . . . . 0.0 111.171 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -51.42 -45.39 37.74 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 121.42 1.413 . . . . 0.0 112.332 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.73 -51.71 57.03 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.301 -0.875 . . . . 0.0 110.508 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 73.9 mtm -67.16 -40.42 86.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.323 -0.861 . . . . 0.0 110.219 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.36 -43.1 98.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 0.0 110.062 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -64.11 -43.75 94.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.271 -0.893 . . . . 0.0 109.663 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -66.96 -42.82 84.54 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.322 -0.861 . . . . 0.0 110.007 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -91.08 8.99 32.75 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.238 -0.914 . . . . 0.0 109.468 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.17 107.98 0.87 Allowed Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -81.2 179.31 7.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.391 -1.064 . . . . 0.0 110.292 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.593 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 0.0 OUTLIER 179.02 -43.74 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.692 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 74' ' ' ASP . 21.8 Cg_exo -61.91 153.71 66.53 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.595 2.197 . . . . 0.0 112.668 -178.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLN . 44.3 p30 -63.8 -10.85 22.33 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' ASN . 72.4 mt-30 41.82 27.9 0.08 Allowed 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.489 0.662 . . . . 0.0 110.169 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' ASN . 83.5 m-85 44.78 -108.06 0.13 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.603 -0.686 . . . . 0.0 110.315 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.71 123.0 44.29 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.232 -0.917 . . . . 0.0 109.476 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 80' ' ' ILE . 20.5 tt -94.38 130.28 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.476 -0.765 . . . . 0.0 110.195 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 t 170.95 115.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.418 -0.801 . . . . 0.0 108.951 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -89.49 128.44 35.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.908 . . . . 0.0 109.449 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.456 ' HE ' ' HB2' ' A' ' 58' ' ' ASN . 72.5 ttp85 -88.79 134.18 34.01 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.333 -0.854 . . . . 0.0 110.376 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 54.42 -94.91 0.02 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 59.17 29.68 19.29 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.566 -0.961 . . . . 0.0 109.042 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -65.79 134.53 53.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.44 -0.787 . . . . 0.0 110.247 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.5 mt -85.99 -77.56 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.5 -0.75 . . . . 0.0 109.588 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 p -163.65 126.38 2.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.323 -0.86 . . . . 0.0 109.547 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.169 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mmm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.683 0.754 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.67 150.69 50.91 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 4' ' ' HIS . 43.2 p-80 -153.93 150.23 28.11 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.661 -0.905 . . . . 0.0 110.085 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 3' ' ' HIS . 95.6 m-70 41.85 95.38 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.87 0.843 . . . . 0.0 110.363 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -77.01 148.1 36.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.641 -0.662 . . . . 0.0 110.292 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -121.78 160.73 24.0 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.69 0.757 . . . . 0.0 110.39 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 60.93 -172.51 0.14 Allowed 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.652 0.739 . . . . 0.0 110.931 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -98.62 101.28 12.66 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.792 0.806 . . . . 0.0 109.427 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 11' ' ' MET . 48.4 t -76.68 151.63 36.06 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.776 -0.578 . . . . 0.0 109.901 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.9 t60 58.3 -72.1 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.661 0.743 . . . . 0.0 110.034 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.589 ' N ' ' O ' ' A' ' 9' ' ' SER . 50.7 ttp -54.79 136.85 45.97 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 122.047 0.927 . . . . 0.0 110.674 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -86.09 158.01 56.13 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 121.681 -0.637 . . . . 0.0 109.385 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -48.69 151.63 5.01 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.146 1.897 . . . . 0.0 112.47 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -61.98 -40.51 95.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.609 -0.682 . . . . 0.0 109.636 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.07 -51.67 62.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.498 -0.751 . . . . 0.0 110.076 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -63.19 -42.17 99.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.449 -0.782 . . . . 0.0 110.11 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.04 -44.59 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.507 -0.746 . . . . 0.0 109.908 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -55.61 -44.63 77.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.46 -0.775 . . . . 0.0 109.964 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.58 -43.5 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.266 -0.896 . . . . 0.0 109.476 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.08 -41.29 97.37 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.446 -0.784 . . . . 0.0 109.935 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -62.72 -40.04 95.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.522 -0.736 . . . . 0.0 109.726 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.5 -41.72 98.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.359 -0.838 . . . . 0.0 109.697 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.625 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.8 t-105 -66.98 -41.25 87.12 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.643 0.735 . . . . 0.0 109.57 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -63.34 -43.2 98.4 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.618 0.723 . . . . 0.0 109.955 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.16 -42.62 99.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.447 -0.783 . . . . 0.0 109.878 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.14 -39.59 78.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.493 -0.754 . . . . 0.0 110.059 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.625 ' CD2' ' CE2' ' A' ' 23' ' ' TRP . 95.7 m-70 -95.2 27.96 3.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.362 -0.836 . . . . 0.0 109.121 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.513 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 17.1 ptm180 -67.78 -37.71 82.41 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.581 0.705 . . . . 0.0 109.637 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.64 -9.96 56.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.389 -0.819 . . . . 0.0 109.398 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 31' ' ' ALA . 96.4 m-20 -93.96 -58.89 2.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.45 -0.781 . . . . 0.0 109.162 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 40.99 96.45 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.784 0.802 . . . . 0.0 110.378 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.526 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 11.8 p90 -159.27 70.82 3.43 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.548 -0.72 . . . . 0.0 109.554 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.94 135.43 68.38 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.891 2.394 . . . . 0.0 112.516 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.485 ' C ' ' NH2' ' A' ' 83' ' ' ARG . 50.6 m -163.03 173.75 13.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.537 -0.727 . . . . 0.0 110.179 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -63.22 -42.11 99.21 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.55 0.691 . . . . 0.0 109.432 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -68.27 -41.46 81.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.544 -0.723 . . . . 0.0 109.47 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -67.49 -49.19 64.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.382 -0.824 . . . . 0.0 109.815 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -65.85 -40.34 91.63 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.395 -0.816 . . . . 0.0 109.483 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.24 93.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.519 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.4 tt -63.33 -46.55 86.09 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.925 0.869 . . . . 0.0 109.226 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.64 -40.21 95.06 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.446 -0.784 . . . . 0.0 109.557 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.1 p -62.11 -38.82 90.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.564 -0.71 . . . . 0.0 109.56 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -66.64 -39.55 88.31 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.648 0.737 . . . . 0.0 109.831 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.32 -43.89 93.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.355 -0.841 . . . . 0.0 110.053 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.9 p -99.51 169.23 9.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 110.136 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -95.93 31.44 2.12 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.1 mt -110.96 154.07 24.63 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.722 0.772 . . . . 0.0 109.846 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.8 p -75.81 166.37 23.63 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.866 0.841 . . . . 0.0 110.411 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.9 m -62.78 -42.94 99.92 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.746 0.784 . . . . 0.0 109.676 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.73 -42.06 98.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.567 -0.708 . . . . 0.0 110.087 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -64.15 -45.92 86.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.389 -0.819 . . . . 0.0 109.882 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.11 -43.11 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-O 121.534 0.683 . . . . 0.0 110.01 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 t -60.81 -44.75 96.46 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.367 -0.833 . . . . 0.0 110.515 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -63.98 -43.3 96.15 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.35 -0.844 . . . . 0.0 109.384 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -68.49 -38.36 80.92 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.801 0.81 . . . . 0.0 109.109 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -59.71 -44.45 93.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.595 -0.69 . . . . 0.0 109.883 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.29 -45.77 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.399 -0.813 . . . . 0.0 109.684 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -70.32 -46.34 64.4 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.345 -0.847 . . . . 0.0 109.907 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.51 87.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.51 -0.744 . . . . 0.0 110.036 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' O ' ' CB ' ' A' ' 64' ' ' LEU . 73.8 ttp85 -64.7 -43.86 92.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.497 -0.752 . . . . 0.0 109.847 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -70.22 -12.65 61.74 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.195 -0.94 . . . . 0.0 110.281 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -108.29 -23.57 11.86 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.37 -0.831 . . . . 0.0 109.866 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.6 mt -105.73 -26.62 11.72 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.167 -0.958 . . . . 0.0 110.647 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 6.4 tp -72.64 -35.21 2.94 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.207 -0.933 . . . . 0.0 111.482 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 21.7 Cg_exo -61.76 -55.39 1.13 Allowed 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.767 1.645 . . . . 0.0 111.931 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -65.53 -39.05 91.33 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.6 0.714 . . . . 0.0 109.812 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 36.7 ttm -61.81 -46.82 87.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.416 -0.802 . . . . 0.0 110.191 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -75.81 -22.53 56.24 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.341 -0.849 . . . . 0.0 109.081 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -66.25 -43.03 87.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.506 -0.746 . . . . 0.0 108.998 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -68.63 -48.76 63.24 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.646 0.736 . . . . 0.0 109.42 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.513 ' OD2' ' NH2' ' A' ' 28' ' ' ARG . 95.3 m-20 -66.47 -40.49 89.38 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.626 0.727 . . . . 0.0 109.488 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.77 -106.46 0.27 Allowed Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -171.47 109.8 0.29 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.545 -0.974 . . . . 0.0 109.877 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.519 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 38.0 m-20 -162.81 49.62 0.25 Allowed Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 74' ' ' ASP . 32.9 Cg_endo -63.68 142.53 83.86 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.793 2.329 . . . . 0.0 112.45 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -86.83 116.65 25.06 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.766 0.793 . . . . 0.0 109.94 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -73.92 -110.13 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.451 0.643 . . . . 0.0 109.89 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' A' ' 79' ' ' THR . 75.9 m-85 -104.72 5.68 33.59 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 80' ' ' ILE . 81.8 p -47.59 -96.3 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.482 -0.761 . . . . 0.0 109.65 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.467 ' N ' ' OG1' ' A' ' 79' ' ' THR . 4.0 mp -103.6 -17.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.436 -0.79 . . . . 0.0 109.099 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.0 p -75.23 164.81 26.08 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.755 0.788 . . . . 0.0 110.94 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 48.21 86.39 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 121.874 0.845 . . . . 0.0 110.055 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.485 ' NH2' ' C ' ' A' ' 34' ' ' SER . 39.5 ttm180 -61.97 -43.77 98.15 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.671 0.748 . . . . 0.0 109.28 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.18 157.33 3.29 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.97 69.38 0.76 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.618 -0.931 . . . . 0.0 109.504 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -154.44 111.14 3.31 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.0 pt -90.83 116.88 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 CA-C-O 121.802 0.811 . . . . 0.0 109.62 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.3 m -99.5 -9.94 22.72 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' A' ' 89' ' ' GLU . 56.7 mp0 . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.629 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.382 0.611 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.96 28.95 67.71 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -58.99 -42.48 90.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.124 -1.221 . . . . 0.0 109.954 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -104.29 128.95 52.14 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.352 -0.843 . . . . 0.0 109.931 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.441 ' C ' ' H ' ' A' ' 7' ' ' HIS . 25.8 t60 -85.36 7.5 22.22 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' A' ' 6' ' ' HIS . 86.8 t60 56.5 5.54 0.21 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.716 -0.615 . . . . 0.0 109.735 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.441 ' H ' ' C ' ' A' ' 5' ' ' HIS . 25.7 t-80 -86.26 125.58 33.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.044 -1.035 . . . . 0.0 109.813 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -148.06 25.67 1.01 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 t -82.37 175.92 9.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.565 -0.709 . . . . 0.0 110.379 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 58.07 -174.18 0.08 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.836 0.827 . . . . 0.0 111.179 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 97.4 mmm -75.69 154.26 36.6 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.836 0.827 . . . . 0.0 110.879 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.503 HD21 ' NE2' ' A' ' 51' ' ' GLN . 40.3 mt -52.89 151.9 7.87 Favored Pre-proline 0 C--N 1.305 -1.343 0 O-C-N 121.541 -0.724 . . . . 0.0 109.687 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -65.67 160.84 41.5 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.458 2.105 . . . . 0.0 112.514 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.05 -35.58 75.44 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.343 -0.848 . . . . 0.0 109.454 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -62.27 -55.56 27.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 109.777 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -64.12 -41.98 97.04 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 109.629 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.5 -42.84 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 109.13 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -54.79 -43.34 72.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.247 -0.908 . . . . 0.0 109.478 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.04 -46.29 94.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.09 -1.006 . . . . 0.0 109.49 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.54 -41.89 88.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.306 -0.871 . . . . 0.0 110.045 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -63.72 -40.99 98.12 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.437 -0.79 . . . . 0.0 109.526 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.97 -48.19 82.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.811 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -63.84 -45.83 87.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.143 -0.973 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.68 -41.1 98.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 0.0 109.261 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.603 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 61.1 t80 -59.52 -45.01 92.97 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.377 -0.827 . . . . 0.0 109.55 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.26 -38.29 90.57 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.378 -0.826 . . . . 0.0 109.725 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -121.26 54.8 1.09 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.603 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 19.6 ptp180 -64.55 -40.29 95.31 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.491 -0.756 . . . . 0.0 109.473 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -72.23 -77.79 0.09 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.334 -0.854 . . . . 0.0 110.231 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.525 ' CG ' HH12 ' A' ' 82' ' ' ARG . 46.4 t-20 -76.72 93.53 3.68 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.242 -0.911 . . . . 0.0 109.177 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' TYR . . . -89.12 -75.16 0.45 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.493 -0.755 . . . . 0.0 109.439 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' ALA . 72.7 m-85 39.08 75.26 0.58 Allowed Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.946 -0.471 . . . . 0.0 109.994 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -78.03 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.42 2.08 . . . . 0.0 111.599 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 p -79.94 169.56 17.72 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.38 -0.825 . . . . 0.0 110.749 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.41 -38.95 85.62 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.424 0.63 . . . . 0.0 109.734 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -71.81 -39.88 69.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.931 . . . . 0.0 109.913 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.5 -50.57 70.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.243 -0.911 . . . . 0.0 110.107 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -66.07 -31.19 71.92 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.217 -0.927 . . . . 0.0 109.431 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.49 89.86 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.302 -0.873 . . . . 0.0 109.379 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.88 -46.44 84.91 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 109.939 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.82 -36.57 82.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.286 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 46' ' ' HIS . 40.5 t -59.85 -42.64 94.06 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.368 -0.832 . . . . 0.0 109.392 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.21 -38.31 90.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.235 -0.915 . . . . 0.0 109.246 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -64.77 -40.34 95.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.309 -0.87 . . . . 0.0 109.653 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.2 p -95.49 -5.88 41.91 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.222 -0.924 . . . . 0.0 108.667 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' SER . 86.1 t60 57.02 22.84 7.71 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.691 -0.63 . . . . 0.0 109.687 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.5 mt -88.78 167.96 12.86 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.316 -0.865 . . . . 0.0 110.317 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 52' ' ' VAL . 15.8 p -76.0 154.4 35.8 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.418 -0.801 . . . . 0.0 110.613 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.9 m -62.89 -44.06 97.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.34 -0.85 . . . . 0.0 109.121 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.52 -42.93 99.84 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.398 -0.814 . . . . 0.0 109.648 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.503 ' NE2' HD21 ' A' ' 12' ' ' LEU . 64.9 tt0 -65.03 -40.96 95.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.404 -0.81 . . . . 0.0 109.847 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 48' ' ' SER . 62.2 t -64.3 -45.81 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.149 -0.969 . . . . 0.0 109.933 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.1 t -61.04 -48.63 80.88 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.222 -0.924 . . . . 0.0 110.054 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -63.4 -39.8 95.49 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.301 -0.874 . . . . 0.0 109.689 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -60.62 -40.08 90.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.847 . . . . 0.0 109.745 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.34 -45.69 93.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.168 -0.958 . . . . 0.0 109.793 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.87 -51.56 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.934 -1.104 . . . . 0.0 110.356 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -69.87 -42.12 73.91 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.101 -0.999 . . . . 0.0 110.2 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.24 92.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.261 -0.899 . . . . 0.0 109.778 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HG2' HD23 ' A' ' 64' ' ' LEU . 36.7 mtp180 -62.57 -45.87 90.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.243 -0.91 . . . . 0.0 109.898 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -62.99 -18.89 63.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.135 -0.978 . . . . 0.0 110.341 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -109.51 -9.77 14.9 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.457 -0.777 . . . . 0.0 110.186 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 64' ' ' LEU . 90.0 mt -114.09 -63.87 1.39 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.33 -0.856 . . . . 0.0 111.128 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.581 HD23 ' HG2' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -39.04 -55.04 3.06 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.712 -0.617 . . . . 0.0 111.042 -177.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -52.45 -47.47 26.89 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 120.934 1.089 . . . . 0.0 111.437 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -72.43 -40.32 67.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.576 -0.703 . . . . 0.0 110.206 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.8 -41.98 99.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.483 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.76 -41.69 95.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.228 -0.92 . . . . 0.0 109.621 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -65.31 -42.2 93.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.316 -0.865 . . . . 0.0 109.37 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.0 -48.42 80.41 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.174 -0.954 . . . . 0.0 109.659 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 73' ' ' LYS . 61.6 t0 -175.31 82.47 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.55 -0.719 . . . . 0.0 109.168 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.39 78.78 0.04 OUTLIER Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 ptpm? -96.96 149.17 22.2 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.251 -1.147 . . . . 0.0 110.403 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.53 155.46 83.6 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.434 -0.791 . . . . 0.0 109.77 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.52 139.83 60.43 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 122.945 2.43 . . . . 0.0 112.287 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.481 ' C ' ' H ' ' A' ' 78' ' ' PHE . 48.1 t-20 -175.02 -51.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -75.69 22.89 0.13 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.466 -0.771 . . . . 0.0 109.121 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.481 ' H ' ' C ' ' A' ' 76' ' ' ASN . 53.8 p90 -68.5 132.02 46.25 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.373 -0.829 . . . . 0.0 110.624 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.0 p -101.11 -17.85 16.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.452 -0.78 . . . . 0.0 109.103 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 98.3 mt -106.7 119.57 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.462 -0.774 . . . . 0.0 109.921 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.8 t -74.86 137.27 41.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.359 -0.838 . . . . 0.0 110.404 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.525 HH12 ' CG ' ' A' ' 30' ' ' ASN . 17.5 ptm180 -92.62 137.59 32.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.453 -0.779 . . . . 0.0 109.723 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -109.88 54.01 0.68 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.35 -78.17 0.93 Allowed Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.76 142.32 54.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.375 -1.073 . . . . 0.0 110.744 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -92.89 138.2 31.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.485 -0.759 . . . . 0.0 109.98 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.417 ' O ' ' O ' ' A' ' 88' ' ' SER . 7.8 tp -97.59 130.88 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.362 -0.836 . . . . 0.0 110.322 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 87' ' ' ILE . 28.8 m 49.0 102.51 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.802 0.811 . . . . 0.0 110.866 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.075 -0.964 . . . . 0.0 109.965 179.65 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.529 0.681 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.09 150.4 51.06 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -150.99 138.28 19.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -1.15 . . . . 0.0 109.421 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -121.59 -64.23 1.24 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.558 -0.714 . . . . 0.0 109.198 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -175.14 74.11 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.31 -0.869 . . . . 0.0 109.159 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -67.17 -38.53 85.6 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 109.342 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -135.94 -163.9 1.47 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.461 -0.775 . . . . 0.0 109.863 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.402 ' ND1' ' O ' ' A' ' 9' ' ' SER . 63.1 t-80 61.68 137.84 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.743 0.782 . . . . 0.0 110.239 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' ND1' ' A' ' 8' ' ' HIS . 16.5 m -71.87 152.12 42.85 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.43 -0.794 . . . . 0.0 110.406 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.43 -40.06 95.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.554 -0.716 . . . . 0.0 109.829 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 98.5 mmm -69.9 145.86 51.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -0.858 . . . . 0.0 110.398 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.556 HD11 ' CG ' ' A' ' 55' ' ' TRP . 3.8 mt -77.66 160.78 73.9 Favored Pre-proline 0 N--CA 1.487 1.387 0 O-C-N 121.482 -0.761 . . . . 0.0 109.615 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -55.1 146.22 60.19 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.837 1.691 . . . . 0.0 112.39 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -49.67 -33.33 15.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.346 -0.846 . . . . 0.0 109.844 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' OE1' ' NH2' ' A' ' 83' ' ' ARG . 79.5 mm-40 -65.01 -48.37 74.14 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.293 -0.88 . . . . 0.0 109.94 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.7 p -70.24 -32.62 70.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.129 -0.982 . . . . 0.0 109.76 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.79 -44.35 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.104 -0.998 . . . . 0.0 109.175 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.34 -46.04 88.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.199 -0.938 . . . . 0.0 109.367 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.72 -47.58 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.293 -0.879 . . . . 0.0 109.805 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.408 HD23 HD23 ' A' ' 41' ' ' LEU . 79.1 mt -67.2 -42.25 84.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -0.865 . . . . 0.0 110.096 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.525 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 58.8 ttt85 -66.45 -42.2 87.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.352 -0.842 . . . . 0.0 109.687 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.5 -47.07 87.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.355 -0.841 . . . . 0.0 110.114 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.452 ' CD1' HD11 ' A' ' 41' ' ' LEU . 86.0 t90 -57.78 -43.16 85.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 109.709 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.28 -41.57 99.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.0 109.547 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.525 ' OH ' ' NH2' ' A' ' 21' ' ' ARG . 3.8 m-85 -62.03 -34.09 75.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.515 -0.741 . . . . 0.0 109.462 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.96 -37.43 81.56 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.328 -0.858 . . . . 0.0 110.169 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -125.45 66.37 1.15 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.501 -0.749 . . . . 0.0 109.426 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' ASN . 79.9 mtp85 -73.53 155.87 38.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.444 -0.785 . . . . 0.0 110.414 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.8 t80 67.19 -63.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.859 0 CA-C-O 121.272 0.558 . . . . 0.0 109.815 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ARG . 53.2 t30 -82.4 98.47 8.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.085 -1.009 . . . . 0.0 109.835 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.35 66.34 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.149 -0.969 . . . . 0.0 108.445 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -76.66 155.59 83.29 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 109.625 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.28 128.87 24.07 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.868 1.712 . . . . 0.0 112.558 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -157.62 142.03 16.3 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.266 -0.896 . . . . 0.0 109.714 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.8 -36.31 78.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.565 -0.709 . . . . 0.0 109.582 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.428 ' O ' ' OE1' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -62.82 -47.54 82.99 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.179 -0.951 . . . . 0.0 109.85 -179.416 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.576 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 36.0 mp0 -68.66 -48.07 64.93 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.246 -0.909 . . . . 0.0 109.88 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.16 -40.14 96.69 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.109 -0.995 . . . . 0.0 109.414 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.77 83.94 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.229 -0.919 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 40' ' ' LEU . 2.9 tt -62.59 -50.84 69.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -0.848 . . . . 0.0 109.65 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 23' ' ' TRP . 10.1 mp -64.76 -39.46 93.66 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.389 -0.819 . . . . 0.0 109.714 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 98.3 p -58.33 -37.78 75.81 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.251 -0.906 . . . . 0.0 109.395 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -68.53 -40.85 80.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.35 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -66.27 -46.16 77.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.375 -0.828 . . . . 0.0 109.804 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.5 p -91.25 168.82 11.32 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.316 -0.865 . . . . 0.0 109.216 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -99.27 12.33 36.54 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.431 HD13 ' NE2' ' A' ' 51' ' ' GLN . 82.5 mt -87.21 155.67 19.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 0.0 110.085 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 52' ' ' VAL . 92.4 p -75.73 160.79 29.66 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.823 0.82 . . . . 0.0 110.522 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 m -63.4 -42.9 98.79 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.0 109.363 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.6 tp -61.44 -44.44 97.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.306 -0.871 . . . . 0.0 109.492 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.431 ' NE2' HD13 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -66.1 -41.9 90.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.416 -0.803 . . . . 0.0 109.45 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 48' ' ' SER . 57.2 t -65.58 -43.04 94.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.638 -0.664 . . . . 0.0 109.354 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -56.87 -44.03 81.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.327 -0.858 . . . . 0.0 109.722 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -63.81 -43.92 94.83 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.319 -0.863 . . . . 0.0 109.823 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.556 ' CG ' HD11 ' A' ' 12' ' ' LEU . 81.6 t90 -70.37 -38.43 74.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 0.0 109.801 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -59.85 -46.41 89.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.869 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.77 -45.58 94.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.125 -0.985 . . . . 0.0 109.757 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -67.81 -40.37 83.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.352 -0.842 . . . . 0.0 109.862 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.24 86.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.426 -0.796 . . . . 0.0 110.365 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -62.71 -44.85 95.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.176 -0.953 . . . . 0.0 110.274 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -67.82 -17.1 64.4 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.223 -0.923 . . . . 0.0 110.171 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 tpt85 -104.35 -21.94 13.42 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.442 -0.786 . . . . 0.0 110.092 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' LEU . 82.9 mt -95.77 -66.12 0.93 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.19 -0.944 . . . . 0.0 111.019 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 6.1 mp -36.58 -64.27 0.39 Allowed Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 121.759 -0.588 . . . . 0.0 111.27 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 16.1 Cg_endo -56.46 -47.79 22.24 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 121.893 1.729 . . . . 0.0 112.32 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.491 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 80.3 m-20 -64.86 -47.1 79.13 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.529 -0.732 . . . . 0.0 110.456 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.499 ' CE ' HH22 ' A' ' 21' ' ' ARG . 15.9 mmt -68.02 -41.98 81.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.059 -1.026 . . . . 0.0 110.09 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.8 mt -63.86 -43.32 96.47 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 109.875 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.491 ' NH2' ' OD1' ' A' ' 66' ' ' ASP . 89.8 mtm180 -71.1 -29.54 65.41 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.382 -0.824 . . . . 0.0 109.223 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -47.59 83.38 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.44 -0.787 . . . . 0.0 110.151 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -171.67 44.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.188 -0.945 . . . . 0.0 109.326 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 42.28 67.88 0.81 Allowed Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -64.03 133.87 53.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.129 -1.218 . . . . 0.0 110.321 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.56 156.48 36.36 Favored Pre-proline 0 N--CA 1.495 1.807 0 O-C-N 121.623 -0.673 . . . . 0.0 109.504 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.56 91.19 0.13 Allowed 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 123.047 2.498 . . . . 0.0 112.112 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -72.62 139.98 47.72 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 121.875 0.845 . . . . 0.0 110.644 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -55.92 -166.23 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.819 0.819 . . . . 0.0 110.774 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 80' ' ' ILE . 95.9 m-85 -67.8 -79.53 0.05 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.598 -0.689 . . . . 0.0 109.714 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.9 m 59.29 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.485 -0.76 . . . . 0.0 110.109 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 78' ' ' PHE . 28.2 pt -87.81 132.53 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 0.0 110.544 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 83' ' ' ARG . 4.7 p -98.98 126.0 44.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.448 -0.782 . . . . 0.0 109.327 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 38.91 -89.99 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.968 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 81' ' ' SER . 63.6 ttm-85 -73.07 -78.97 0.08 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.328 -0.857 . . . . 0.0 110.097 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.53 37.43 27.25 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.34 139.2 49.25 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.3 -1.117 . . . . 0.0 110.587 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.27 142.84 29.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.401 -0.812 . . . . 0.0 110.543 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 87' ' ' ILE . 18.9 tt -151.99 126.97 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.367 -0.833 . . . . 0.0 109.588 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.3 m -73.41 150.26 41.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.476 -0.765 . . . . 0.0 110.664 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.018 -0.992 . . . . 0.0 109.89 179.694 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptp . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.601 0.715 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.97 164.47 49.76 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -136.07 145.99 46.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.451 -1.029 . . . . 0.0 109.549 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 49.1 p-80 -153.73 -143.14 0.12 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.342 -0.849 . . . . 0.0 109.661 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 4' ' ' HIS . 57.2 p-80 42.18 54.82 4.09 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.55 0.69 . . . . 0.0 109.836 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.02 97.73 9.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.426 -0.796 . . . . 0.0 109.693 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 8' ' ' HIS . 55.7 p-80 -67.7 -38.55 83.8 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.561 ' CG ' ' N ' ' A' ' 9' ' ' SER . 85.2 t60 59.26 169.32 0.07 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.765 0.793 . . . . 0.0 111.249 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.561 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 12.0 m -67.78 145.95 54.2 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.648 0.737 . . . . 0.0 110.433 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 11' ' ' MET . 83.7 t60 -81.43 155.1 26.04 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.887 0.851 . . . . 0.0 110.682 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.414 ' N ' ' CG ' ' A' ' 10' ' ' HIS . 20.8 ttm -62.14 -132.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.709 0.766 . . . . 0.0 110.469 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.81 171.67 11.72 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.377 -0.827 . . . . 0.0 109.766 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.8 147.39 95.34 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 122.733 2.289 . . . . 0.0 112.995 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -62.7 -40.3 96.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.67 -0.644 . . . . 0.0 109.783 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.72 -46.26 90.4 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.067 -1.021 . . . . 0.0 109.743 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -63.06 -43.21 99.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.13 -0.981 . . . . 0.0 109.654 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.7 t -66.25 -43.09 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.465 -0.772 . . . . 0.0 109.584 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -60.97 -44.64 97.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.844 . . . . 0.0 109.49 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.67 -45.35 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.139 -0.975 . . . . 0.0 109.659 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.485 HD23 HD22 ' A' ' 41' ' ' LEU . 13.3 mt -65.58 -41.68 92.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.424 -0.798 . . . . 0.0 109.894 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -62.99 -43.69 98.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.16 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -63.38 -47.59 81.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.497 -0.752 . . . . 0.0 109.689 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -62.0 -50.32 72.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.847 . . . . 0.0 109.568 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' ARG . 51.7 tp -64.39 -42.42 96.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.293 -0.879 . . . . 0.0 109.687 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -60.69 -48.1 83.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.399 -0.813 . . . . 0.0 109.665 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.17 -38.55 85.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.399 -0.813 . . . . 0.0 109.553 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -103.71 30.82 4.8 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.627 ' O ' HD11 ' A' ' 64' ' ' LEU . 50.4 ptt85 -61.74 -38.8 89.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.647 -0.658 . . . . 0.0 109.819 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -73.69 -16.56 61.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.275 -0.89 . . . . 0.0 109.609 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' ALA . 34.6 t30 -120.83 -97.92 0.45 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.695 -0.628 . . . . 0.0 109.691 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . 39.52 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.785 -0.572 . . . . 0.0 110.2 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.437 ' C ' ' H ' ' A' ' 34' ' ' SER . 5.6 m-85 -99.78 154.34 37.3 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.433 -0.792 . . . . 0.0 109.533 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.94 26.33 0.21 Allowed 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.783 2.322 . . . . 0.0 111.437 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 32' ' ' TYR . 17.5 m -71.47 154.07 41.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 0.0 110.518 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.58 -34.08 77.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.466 -0.771 . . . . 0.0 109.944 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.17 -44.24 92.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.127 -0.983 . . . . 0.0 109.405 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -68.72 -38.58 80.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.304 -0.872 . . . . 0.0 109.504 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -64.29 -40.54 96.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.23 -0.919 . . . . 0.0 109.46 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.41 94.96 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.223 -0.923 . . . . 0.0 108.955 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 40' ' ' LEU . 2.9 tt -63.3 -43.68 97.17 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 122.052 0.93 . . . . 0.0 108.86 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.485 HD22 HD23 ' A' ' 20' ' ' LEU . 97.9 mt -70.7 -40.37 72.91 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.116 -0.99 . . . . 0.0 109.448 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 m -63.13 -48.25 79.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 0.0 110.464 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -69.44 -39.4 77.82 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 109.539 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.39 -39.42 85.6 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.409 -0.807 . . . . 0.0 109.565 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.0 p -100.61 172.62 6.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.802 0.811 . . . . 0.0 109.704 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -96.66 9.03 42.82 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -94.09 145.51 24.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.275 -0.891 . . . . 0.0 110.015 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 m -74.23 174.12 9.22 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.761 0.791 . . . . 0.0 110.523 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -66.42 -34.08 77.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.606 -0.684 . . . . 0.0 109.637 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.83 -46.69 88.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.073 -1.017 . . . . 0.0 109.921 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.73 -39.96 73.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 109.616 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.54 -42.85 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.485 -0.759 . . . . 0.0 109.468 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.3 t -61.42 -48.89 79.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.167 -0.958 . . . . 0.0 110.186 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -63.81 -44.36 93.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.291 -0.88 . . . . 0.0 109.736 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.457 ' CA ' HH12 ' A' ' 83' ' ' ARG . 83.8 t90 -70.33 -41.43 73.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.482 -0.761 . . . . 0.0 109.777 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.67 -48.98 76.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.264 -0.897 . . . . 0.0 110.22 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.6 -46.13 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.161 -0.962 . . . . 0.0 109.943 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.553 ' C ' HD21 ' A' ' 58' ' ' ASN . 0.4 OUTLIER -68.18 -41.93 80.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.372 -0.83 . . . . 0.0 109.677 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.98 -48.12 63.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.487 -0.758 . . . . 0.0 109.653 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HG3' HD23 ' A' ' 64' ' ' LEU . 73.7 ttp85 -66.41 -45.68 79.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.9 . . . . 0.0 109.792 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -65.91 -22.72 66.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.363 -0.835 . . . . 0.0 110.086 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -98.42 -23.94 15.37 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.297 -0.877 . . . . 0.0 109.863 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 64' ' ' LEU . 44.2 mt -90.18 -72.12 0.58 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.136 -0.978 . . . . 0.0 110.995 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.627 HD11 ' O ' ' A' ' 28' ' ' ARG . 3.5 mm? -28.92 -64.31 0.18 Allowed Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.893 -0.505 . . . . 0.0 112.204 -178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 13.4 Cg_endo -57.31 -55.47 2.51 Favored 'Trans proline' 0 C--N 1.303 -1.822 0 C-N-CA 121.654 1.569 . . . . 0.0 112.399 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.69 -43.64 96.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.54 -0.725 . . . . 0.0 110.802 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 51.4 ttm -57.81 -48.5 79.56 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.218 -0.926 . . . . 0.0 109.497 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.12 -42.14 89.58 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.185 -0.947 . . . . 0.0 109.941 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -72.35 -18.97 61.71 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.417 -0.802 . . . . 0.0 109.175 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -70.33 -56.97 5.41 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.237 -0.914 . . . . 0.0 109.548 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 71' ' ' ASP . 62.4 t0 -174.26 30.31 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.561 -0.712 . . . . 0.0 109.411 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.99 105.83 0.01 OUTLIER Glycine 0 N--CA 1.494 2.556 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.089 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 tttt 59.35 89.81 0.06 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.619 -0.93 . . . . 0.0 109.931 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -114.04 97.11 44.21 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -51.74 -36.67 62.92 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.331 2.021 . . . . 0.0 111.727 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -82.87 109.8 17.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.494 -0.754 . . . . 0.0 109.664 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -157.03 114.75 3.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 109.061 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -100.06 142.86 30.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.436 -0.79 . . . . 0.0 110.206 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 p -70.64 139.45 51.33 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.578 0.704 . . . . 0.0 110.7 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.0 tt -145.96 21.56 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.0 t -60.37 140.98 56.89 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.283 -0.885 . . . . 0.0 109.927 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -85.86 116.31 24.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.506 -0.746 . . . . 0.0 109.915 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 85' ' ' ALA . 13.2 ptp180 178.88 -18.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.27 38.25 0.44 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.537 ' C ' ' H ' ' A' ' 87' ' ' ILE . . . -82.05 0.89 38.38 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.025 -1.279 . . . . 0.0 108.877 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.8 tttm 65.81 -12.52 0.17 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.738 -0.601 . . . . 0.0 109.952 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.537 ' H ' ' C ' ' A' ' 85' ' ' ALA . 95.7 mt -109.58 125.45 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.435 -0.791 . . . . 0.0 109.825 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ILE . 2.4 t 39.28 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.495 0.664 . . . . 0.0 110.22 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 87' ' ' ILE . 58.4 mp0 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.094 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mtp . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.36 88.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -77.53 130.99 37.65 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.128 -1.219 . . . . 0.0 110.458 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -84.78 -6.31 59.35 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 6' ' ' HIS . 52.9 p-80 -152.69 -159.54 1.02 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 0.0 109.979 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.422 ' O ' ' CD2' ' A' ' 5' ' ' HIS . 33.0 m170 -72.02 151.37 43.22 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.757 0.789 . . . . 0.0 110.715 -178.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -65.59 165.65 11.98 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.767 0.794 . . . . 0.0 110.993 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 55.13 -175.14 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.709 0.766 . . . . 0.0 110.636 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 57.95 76.36 0.34 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.573 0.701 . . . . 0.0 109.953 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -67.43 -38.71 84.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.564 -0.71 . . . . 0.0 109.458 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 11' ' ' MET . 3.8 ppp? -62.79 141.74 58.49 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.379 -0.826 . . . . 0.0 110.23 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.4 mt -86.04 150.06 51.72 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.16 -0.963 . . . . 0.0 110.007 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.414 ' O ' HG23 ' A' ' 17' ' ' VAL . 88.1 Cg_exo -40.19 163.95 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.612 2.208 . . . . 0.0 113.313 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.95 -39.91 96.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.403 -0.81 . . . . 0.0 109.742 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -58.83 -50.99 71.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.027 -1.046 . . . . 0.0 109.579 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.0 t -63.76 -42.87 97.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.905 . . . . 0.0 109.76 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 13' ' ' PRO . 69.7 t -63.92 -43.18 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.419 -0.801 . . . . 0.0 109.649 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -57.74 -47.91 81.1 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.144 -0.972 . . . . 0.0 109.867 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.49 -46.41 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.975 -1.078 . . . . 0.0 110.148 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.61 -41.6 92.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.243 -0.911 . . . . 0.0 109.777 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -63.31 -41.16 98.92 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.471 -0.768 . . . . 0.0 109.853 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.86 -48.67 79.14 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.179 -0.951 . . . . 0.0 109.796 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -61.55 -43.26 99.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.322 -0.861 . . . . 0.0 109.818 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.3 tp -66.64 -38.2 86.39 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.016 -1.053 . . . . 0.0 109.439 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -58.14 -44.12 87.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.48 -0.763 . . . . 0.0 109.68 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.08 -17.21 53.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.319 -0.863 . . . . 0.0 109.464 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -122.48 44.83 2.52 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.63 -0.669 . . . . 0.0 109.536 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.01 -42.2 97.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.422 -0.799 . . . . 0.0 109.311 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -89.79 -22.23 22.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.44 -0.788 . . . . 0.0 108.952 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -95.44 29.96 2.4 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.91 63.64 7.66 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.393 -0.817 . . . . 0.0 108.996 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.54 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 40.7 p90 -99.88 111.66 62.34 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.334 -0.853 . . . . 0.0 108.832 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HB2' ' HE ' ' A' ' 82' ' ' ARG . 51.9 Cg_exo -49.04 135.04 29.88 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.898 1.732 . . . . 0.0 113.001 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.6 t -165.39 154.42 12.18 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.178 -0.951 . . . . 0.0 109.692 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -65.27 -36.77 85.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.421 -0.799 . . . . 0.0 109.417 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.0 -47.0 79.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 0.0 109.941 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.63 -45.18 69.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.263 -0.898 . . . . 0.0 109.717 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.83 -40.76 95.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.759 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.07 95.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.107 -0.996 . . . . 0.0 109.478 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.97 -45.3 89.71 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.166 -0.959 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.3 -41.13 94.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.51 -0.744 . . . . 0.0 109.472 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.3 p -63.52 -34.61 78.17 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.351 -0.843 . . . . 0.0 109.67 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -69.04 -39.94 78.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.144 -0.972 . . . . 0.0 109.9 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.08 -41.85 94.66 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 109.603 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 p -96.34 -4.3 42.27 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.539 ' N ' ' O ' ' A' ' 42' ' ' SER . 78.8 m80 56.57 13.61 1.42 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.683 -0.635 . . . . 0.0 109.627 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -79.27 160.91 26.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.508 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 m -72.61 161.41 30.81 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.602 0.715 . . . . 0.0 110.403 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 m -61.32 -44.75 96.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.577 -0.702 . . . . 0.0 109.571 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 50' ' ' LEU . 10.5 mp -63.04 -40.44 97.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.118 -0.988 . . . . 0.0 109.457 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -62.6 -43.61 98.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.14 -0.975 . . . . 0.0 109.386 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.62 -43.35 93.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.687 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.8 m -63.47 -43.09 98.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.88 . . . . 0.0 110.249 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -64.47 -46.96 80.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.95 -1.094 . . . . 0.0 109.571 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -67.97 -38.84 83.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.53 -0.731 . . . . 0.0 109.391 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -58.48 -45.91 87.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.457 -0.777 . . . . 0.0 110.039 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CD1' ' O ' ' A' ' 83' ' ' ARG . 95.9 mt -63.64 -44.26 98.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.224 -0.923 . . . . 0.0 109.683 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -68.78 -47.54 65.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.11 -0.994 . . . . 0.0 110.402 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.44 94.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.767 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.729 ' NH2' ' H ' ' A' ' 81' ' ' SER . 73.2 ttp85 -64.04 -42.0 97.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.39 -0.819 . . . . 0.0 109.114 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.702 HH21 ' N ' ' A' ' 81' ' ' SER . 33.0 mmt180 -74.06 -12.07 60.51 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.761 -0.587 . . . . 0.0 110.105 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -110.26 -6.5 15.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.57 -0.706 . . . . 0.0 109.755 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' LEU . 81.0 mt -114.07 -66.98 1.03 Allowed 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.35 -0.844 . . . . 0.0 111.271 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 5.9 mp -39.62 -62.91 0.74 Allowed Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.582 -0.699 . . . . 0.0 111.294 -178.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 38.6 Cg_exo -38.4 -48.69 2.46 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 121.932 1.754 . . . . 0.0 112.063 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -66.4 -53.07 39.96 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.443 -0.786 . . . . 0.0 110.612 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 89.7 mmm -64.93 -42.24 94.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.251 -0.906 . . . . 0.0 110.12 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.5 -39.37 91.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.534 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -59.9 -43.06 95.04 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.191 -0.943 . . . . 0.0 108.932 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -64.02 -47.62 79.51 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.229 -0.919 . . . . 0.0 109.584 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 64.5 t0 -66.24 -34.18 77.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.393 -0.817 . . . . 0.0 109.145 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.93 14.01 63.52 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -111.04 121.12 44.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.551 -0.97 . . . . 0.0 109.557 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.69 ' H ' ' CD ' ' A' ' 75' ' ' PRO . 0.9 OUTLIER -108.18 -41.33 0.13 Allowed Pre-proline 0 N--CA 1.496 1.875 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.399 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.69 ' CD ' ' H ' ' A' ' 74' ' ' ASP . 26.9 Cg_exo -61.04 162.43 19.35 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.807 2.338 . . . . 0.0 112.765 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 0.8 OUTLIER 74.3 40.64 0.41 Allowed 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 78' ' ' PHE . 1.4 tm0? -126.25 -54.89 1.47 Allowed 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 79' ' ' THR . 99.7 m-85 37.73 -157.45 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.812 -0.555 . . . . 0.0 110.56 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 78' ' ' PHE . 2.0 p 38.42 43.58 0.65 Allowed 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.797 0.808 . . . . 0.0 109.803 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.507 ' C ' ' H ' ' A' ' 82' ' ' ARG . 37.1 pt -85.79 145.14 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.558 -0.714 . . . . 0.0 110.479 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.729 ' H ' ' NH2' ' A' ' 60' ' ' ARG . 1.8 t 71.87 -34.49 0.3 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.684 -0.635 . . . . 0.0 109.599 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 80' ' ' ILE . 18.6 tpt85 41.81 -89.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.254 0.549 . . . . 0.0 110.259 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' A' ' 81' ' ' SER . 77.8 ttt-85 -141.08 82.86 1.85 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.432 -0.793 . . . . 0.0 109.272 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . 156.26 -162.6 31.52 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 54.24 -82.65 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.614 -0.933 . . . . 0.0 110.551 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 84' ' ' GLY . 68.4 mttm -72.49 148.47 45.03 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.295 -0.878 . . . . 0.0 110.613 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.503 ' H ' HD12 ' A' ' 87' ' ' ILE . 3.5 mp -79.15 131.39 34.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-O 121.748 0.785 . . . . 0.0 110.494 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 87' ' ' ILE . 2.9 p 59.69 131.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.776 0.798 . . . . 0.0 110.751 179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' OXT' ' O ' ' A' ' 88' ' ' SER . 81.1 tt0 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.11 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.58 12.49 82.87 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -134.88 142.37 46.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.443 -1.034 . . . . 0.0 109.797 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -146.37 62.54 1.22 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -64.1 -44.04 93.54 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.447 -0.783 . . . . 0.0 109.671 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -84.0 137.68 33.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.37 -0.831 . . . . 0.0 110.03 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -156.3 75.69 0.88 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -112.41 130.13 56.08 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.489 -0.757 . . . . 0.0 109.829 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -165.99 129.09 2.06 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.332 -0.855 . . . . 0.0 109.389 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -60.85 -41.52 96.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.54 -0.725 . . . . 0.0 109.63 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 78.5 mtm -145.67 -95.67 0.09 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.383 -0.823 . . . . 0.0 109.768 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 55' ' ' TRP . 0.7 OUTLIER -93.34 174.51 3.84 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.673 -0.642 . . . . 0.0 109.847 -178.464 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.403 ' O ' HG23 ' A' ' 17' ' ' VAL . 32.9 Cg_exo -58.93 146.95 91.91 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.406 2.071 . . . . 0.0 112.607 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -61.32 -37.83 84.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.615 -0.678 . . . . 0.0 109.49 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.87 -47.65 85.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.537 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.9 p -67.22 -40.06 86.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.134 -0.979 . . . . 0.0 109.355 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 13' ' ' PRO . 59.5 t -63.38 -43.29 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.398 -0.814 . . . . 0.0 109.24 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.29 -49.05 79.32 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.265 -0.897 . . . . 0.0 109.649 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.65 -44.89 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.084 -1.01 . . . . 0.0 109.767 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' CD2' HD22 ' A' ' 41' ' ' LEU . 15.6 mt -63.36 -41.79 98.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.386 -0.821 . . . . 0.0 109.712 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.08 -39.28 91.89 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.369 -0.832 . . . . 0.0 109.376 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.76 -47.67 79.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -0.835 . . . . 0.0 109.684 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -60.47 -41.65 94.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.134 -0.979 . . . . 0.0 109.467 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.27 -40.89 98.67 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.3 -0.875 . . . . 0.0 108.883 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.551 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 3.0 m-85 -60.33 -43.18 96.63 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.719 -0.613 . . . . 0.0 109.696 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' NE2' ' A' ' 77' ' ' GLN . 80.7 mm-40 -67.03 -38.02 85.16 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.291 -0.881 . . . . 0.0 109.522 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -91.92 14.86 14.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 108.859 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.551 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 45.2 ttm180 -58.22 146.64 33.15 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.488 -0.758 . . . . 0.0 110.219 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.7 t80 69.18 -60.81 0.45 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.375 0.607 . . . . 0.0 109.642 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 31' ' ' ALA . 76.8 m-20 -62.75 -42.16 99.54 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.358 -0.839 . . . . 0.0 109.544 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' ' CD2' ' A' ' 32' ' ' TYR . . . 48.21 104.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.501 -0.75 . . . . 0.0 110.77 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 31' ' ' ALA . 26.6 m-85 -164.21 73.09 1.68 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.028 -1.045 . . . . 0.0 109.1 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.496 ' CG ' ' NH2' ' A' ' 60' ' ' ARG . 35.8 Cg_exo -60.5 148.71 89.96 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.906 2.404 . . . . 0.0 112.34 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 t -147.56 154.99 41.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.218 -0.926 . . . . 0.0 109.827 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -56.89 -22.2 35.37 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.473 -0.767 . . . . 0.0 109.814 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -60.23 -49.47 77.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.153 -0.967 . . . . 0.0 109.624 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 37' ' ' GLU . 52.1 mp0 -68.15 -39.98 82.5 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.326 -0.859 . . . . 0.0 109.473 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -63.16 -40.83 98.69 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.317 -0.865 . . . . 0.0 109.468 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.78 -53.54 54.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.211 -0.931 . . . . 0.0 109.974 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.86 -40.49 95.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.869 . . . . 0.0 109.471 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 20' ' ' LEU . 28.1 mt -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.272 -0.893 . . . . 0.0 109.669 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.6 p -62.08 -39.55 92.8 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.272 -0.892 . . . . 0.0 109.632 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -77.04 -45.97 25.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 0.0 109.452 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.79 -40.6 92.08 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.356 -0.84 . . . . 0.0 109.67 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.436 ' C ' ' H ' ' A' ' 47' ' ' LEU . 22.9 p -107.77 129.69 55.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.519 -0.738 . . . . 0.0 109.12 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -71.17 42.68 0.07 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.665 -0.647 . . . . 0.0 109.488 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.436 ' H ' ' C ' ' A' ' 45' ' ' THR . 86.4 mt -114.09 148.47 37.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.603 -0.686 . . . . 0.0 109.643 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -68.56 159.98 30.84 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.682 0.753 . . . . 0.0 110.684 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.7 m -61.79 -43.69 98.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.64 -0.663 . . . . 0.0 110.125 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 50' ' ' LEU . 10.8 mp -62.95 -40.39 97.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.171 -0.956 . . . . 0.0 109.708 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -62.31 -41.24 98.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.334 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.57 -44.47 96.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.366 -0.833 . . . . 0.0 109.569 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -64.42 -47.28 79.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.37 -0.831 . . . . 0.0 110.11 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -63.61 -41.49 98.29 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.897 . . . . 0.0 109.196 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.554 ' CD1' HD11 ' A' ' 12' ' ' LEU . 82.0 t90 -66.3 -38.52 87.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.498 -0.751 . . . . 0.0 109.851 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.83 -46.36 87.86 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 109.892 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.19 -48.44 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.094 -1.004 . . . . 0.0 110.426 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -67.72 -42.78 81.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.997 -1.064 . . . . 0.0 110.057 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.423 ' HB2' ' CE2' ' A' ' 55' ' ' TRP . . . -64.37 -35.51 81.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.278 -0.889 . . . . 0.0 109.58 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.496 ' NH2' ' CG ' ' A' ' 33' ' ' PRO . 37.2 ttm180 -62.55 -49.38 75.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.034 -1.041 . . . . 0.0 109.856 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -75.99 -5.54 46.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.191 -0.943 . . . . 0.0 110.052 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -107.03 -26.98 10.92 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.606 -0.684 . . . . 0.0 110.285 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.7 mt -98.05 -45.39 6.27 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.184 -0.947 . . . . 0.0 111.008 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.525 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.6 tp -51.68 -43.41 87.79 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.076 -1.015 . . . . 0.0 111.016 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 2.1 Cg_endo -76.48 -36.62 1.64 Allowed 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 121.768 1.646 . . . . 0.0 111.187 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -67.33 -49.26 64.79 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.421 0.629 . . . . 0.0 109.83 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.418 ' SD ' ' NH1' ' A' ' 28' ' ' ARG . 1.5 tmt? -64.4 -45.95 85.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.303 -0.873 . . . . 0.0 109.58 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.08 -42.21 94.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.346 -0.846 . . . . 0.0 109.918 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -64.74 -43.76 92.3 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.17 -0.956 . . . . 0.0 109.331 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -65.54 -45.12 84.64 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.437 -0.79 . . . . 0.0 109.643 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 51.6 p-10 -171.94 79.59 0.06 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.478 -0.764 . . . . 0.0 109.565 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.67 34.1 2.76 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -154.28 46.74 0.59 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.362 -1.081 . . . . 0.0 108.638 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.443 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 27.2 p-10 -173.05 53.1 0.15 Allowed Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.709 -0.62 . . . . 0.0 109.597 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 74' ' ' ASP . 53.2 Cg_endo -67.64 147.13 75.53 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.881 2.387 . . . . 0.0 112.509 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -142.15 -64.13 0.43 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.328 -0.857 . . . . 0.0 109.427 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.524 ' NE2' ' OE2' ' A' ' 26' ' ' GLU . 10.7 tt0 46.06 91.31 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.607 -0.683 . . . . 0.0 109.552 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 79' ' ' THR . 80.4 t80 -99.72 74.76 1.87 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.532 -0.73 . . . . 0.0 109.465 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 81' ' ' SER . 5.0 m 59.39 143.58 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.346 0.593 . . . . 0.0 110.651 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 79' ' ' THR . 4.7 tt 36.86 30.02 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 CA-C-O 121.651 0.739 . . . . 0.0 110.196 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 79' ' ' THR . 90.9 p 50.6 -161.82 0.06 Allowed 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.749 0.785 . . . . 0.0 110.488 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -87.99 137.32 32.44 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.48 -0.762 . . . . 0.0 110.508 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -80.73 -6.54 58.59 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.39 -0.819 . . . . 0.0 108.959 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.72 20.69 39.39 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.31 145.14 56.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.326 -1.102 . . . . 0.0 110.255 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -133.1 -18.79 2.28 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.3 tt -70.28 135.07 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.437 -0.789 . . . . 0.0 110.156 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 89' ' ' GLU . 90.7 p -71.91 163.15 28.36 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.741 0.781 . . . . 0.0 110.665 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 88' ' ' SER . 73.8 mm-40 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.892 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.92 1.04 89.11 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -71.89 134.97 46.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.315 -1.109 . . . . 0.0 110.055 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -87.03 156.32 19.8 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.228 -0.92 . . . . 0.0 110.259 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -71.46 130.74 42.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.2 -0.938 . . . . 0.0 110.244 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -66.46 -43.2 86.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.807 . . . . 0.0 109.568 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -174.95 -44.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.51 -0.744 . . . . 0.0 109.232 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -77.11 146.99 36.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.34 -0.85 . . . . 0.0 110.485 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 m -74.72 161.93 29.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.536 -0.728 . . . . 0.0 110.641 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -62.53 -30.24 71.15 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.3 -0.875 . . . . 0.0 109.723 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.0 tpp -67.9 143.78 55.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.159 -0.963 . . . . 0.0 109.758 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.58 152.81 75.74 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.179 -0.951 . . . . 0.0 109.495 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -43.64 157.72 0.12 Allowed 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.38 2.054 . . . . 0.0 113.259 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -44.53 96.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.463 -0.773 . . . . 0.0 110.106 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.89 -41.7 99.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.109 -0.994 . . . . 0.0 109.734 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -63.51 -43.58 96.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.065 -1.022 . . . . 0.0 109.515 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.47 -43.27 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.254 -0.904 . . . . 0.0 109.218 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -57.16 -44.97 83.98 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.332 -0.855 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.22 -44.94 97.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.136 -0.978 . . . . 0.0 109.468 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.429 HD21 HG21 ' A' ' 45' ' ' THR . 91.9 mt -65.54 -42.37 92.0 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.918 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -65.59 -41.89 92.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.31 -0.869 . . . . 0.0 109.911 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.59 -46.17 91.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.275 -0.89 . . . . 0.0 110.207 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.539 ' NE1' ' OE2' ' A' ' 37' ' ' GLU . 68.3 t-105 -62.68 -41.14 98.94 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 109.615 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' ARG . 32.7 tp -63.04 -40.82 98.86 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.28 -0.887 . . . . 0.0 109.485 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CE1' ' NH2' ' A' ' 28' ' ' ARG . 3.7 m-85 -60.85 -37.88 83.6 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.345 -0.847 . . . . 0.0 109.191 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 80' ' ' ILE . 95.9 mt-10 -63.44 -39.16 93.73 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.153 -0.967 . . . . 0.0 109.375 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -134.94 57.21 1.81 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.471 -0.768 . . . . 0.0 108.952 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 25' ' ' TYR . 4.3 ptp180 -71.07 -35.51 71.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.592 -0.693 . . . . 0.0 109.922 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -61.21 -47.15 87.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.183 -0.948 . . . . 0.0 110.142 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 21.7 t-20 -97.08 -105.08 0.17 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.191 -0.943 . . . . 0.0 110.216 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' N ' ' CG ' ' A' ' 30' ' ' ASN . . . 44.39 51.86 7.55 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.02 166.14 40.67 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 109.265 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.51 134.28 51.96 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.284 1.989 . . . . 0.0 113.074 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.1 p -167.79 150.97 5.95 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.446 -0.784 . . . . 0.0 109.333 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 58.9 mp0 -71.2 -38.63 72.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.392 -0.818 . . . . 0.0 109.711 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -65.99 -43.24 88.34 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.242 -0.911 . . . . 0.0 109.984 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.539 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 51.0 tp10 -67.82 -43.73 78.94 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.233 -0.917 . . . . 0.0 109.611 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -63.01 -44.14 96.82 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.17 -0.956 . . . . 0.0 109.219 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.09 87.1 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.308 -0.87 . . . . 0.0 109.318 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.49 -48.66 76.74 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.338 -0.851 . . . . 0.0 109.421 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.85 -39.65 83.79 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.53 -0.731 . . . . 0.0 109.603 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 46' ' ' HIS . 38.2 t -60.85 -42.29 97.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.48 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -40.68 93.66 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.197 -0.939 . . . . 0.0 109.138 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -64.86 -39.93 94.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.228 -0.92 . . . . 0.0 109.825 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.429 HG21 HD21 ' A' ' 20' ' ' LEU . 54.6 p -93.1 -10.56 35.56 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.252 -0.905 . . . . 0.0 109.116 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 42' ' ' SER . 59.2 m-70 60.86 7.65 1.55 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.533 -0.729 . . . . 0.0 109.121 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.9 mt -87.29 167.08 14.39 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.355 -0.84 . . . . 0.0 110.211 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.4 p -73.79 159.21 33.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.441 -0.787 . . . . 0.0 110.444 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.449 ' O ' ' SG ' ' A' ' 53' ' ' CYS . 30.1 p -67.92 -33.95 75.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.426 -0.796 . . . . 0.0 109.817 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.74 -45.37 93.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.136 -0.977 . . . . 0.0 109.844 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -70.3 -41.97 72.64 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.214 -0.929 . . . . 0.0 109.674 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.59 -43.67 93.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.289 -0.882 . . . . 0.0 109.71 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 49' ' ' THR . 87.3 m -61.83 -38.76 89.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.342 -0.849 . . . . 0.0 110.116 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -64.22 -41.16 97.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.091 -1.006 . . . . 0.0 109.728 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -59.45 -47.14 86.63 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.249 -0.907 . . . . 0.0 109.054 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.455 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 34.6 m-85 -65.73 -36.89 84.87 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.887 -1.125 . . . . 0.0 113.714 -177.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.02 -49.37 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 C-N-CA 115.868 -2.333 . . . . 0.0 108.89 -177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -68.97 -44.49 72.82 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.805 -1.185 . . . . 0.0 109.876 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.95 95.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.758 -1.214 . . . . 0.0 110.102 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 56' ' ' PHE . 79.8 mtp85 -63.47 -43.0 98.58 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.068 -1.02 . . . . 0.0 109.836 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.89 -17.73 62.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.189 -0.944 . . . . 0.0 110.184 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -104.56 -5.22 21.71 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.2 -0.937 . . . . 0.0 110.11 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' LEU . 79.0 mt -113.39 -66.28 1.1 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.301 -0.874 . . . . 0.0 110.425 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 6.4 mp -39.19 -64.13 0.54 Allowed Pre-proline 0 N--CA 1.498 1.948 0 O-C-N 121.485 -0.76 . . . . 0.0 110.987 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.428 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 12.6 Cg_endo -55.44 -41.94 73.02 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.784 1.656 . . . . 0.0 111.594 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -65.58 -45.71 82.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.268 -0.895 . . . . 0.0 110.085 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 54.7 tpp -71.41 -39.59 71.01 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.076 -1.015 . . . . 0.0 110.148 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' LYS . 57.0 mt -62.24 -45.73 92.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.025 -1.047 . . . . 0.0 109.984 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -72.26 -40.15 67.86 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.99 -1.069 . . . . 0.0 108.831 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.41 -44.26 91.81 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.089 -1.007 . . . . 0.0 109.471 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.38 -6.17 59.1 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.129 -0.982 . . . . 0.0 109.103 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 73' ' ' LYS . . . 73.89 24.66 73.59 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 72' ' ' GLY . 6.2 tmtt? 78.62 48.81 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.553 -0.969 . . . . 0.0 109.438 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.465 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 6.9 m-20 -151.25 52.69 1.01 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.153 -0.967 . . . . 0.0 108.778 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 74' ' ' ASP . 28.4 Cg_endo -63.16 141.12 81.52 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.329 2.019 . . . . 0.0 111.946 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -95.01 95.48 8.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.248 -0.908 . . . . 0.0 109.767 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.434 ' OE1' ' N ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.42 -10.1 36.31 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.417 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 97.0 m-85 -66.1 -40.0 90.42 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.466 -0.771 . . . . 0.0 110.074 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.1 p -62.65 136.4 57.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.03 -1.044 . . . . 0.0 110.489 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.413 ' O ' ' OE2' ' A' ' 26' ' ' GLU . 96.4 mt -76.23 -19.76 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.433 -0.792 . . . . 0.0 109.304 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.1 t -152.32 83.4 1.25 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.855 . . . . 0.0 109.091 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -65.66 -42.51 91.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.501 -0.749 . . . . 0.0 109.785 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -63.85 -41.74 97.72 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.292 -0.88 . . . . 0.0 109.184 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 57.11 23.1 45.62 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.64 102.87 6.33 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.934 -1.333 . . . . 0.0 110.078 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 88' ' ' SER . 88.9 tttt -156.69 112.06 2.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.152 -0.968 . . . . 0.0 109.341 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 97.0 mt 45.92 -88.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.394 -0.816 . . . . 0.0 110.65 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 86' ' ' LYS . 17.7 m -71.96 151.69 43.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 110.74 -178.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 117.949 -1.025 . . . . 0.0 108.824 179.379 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 ptp . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.714 0.768 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.68 6.74 88.24 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -111.1 126.92 55.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.594 -0.945 . . . . 0.0 109.889 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -104.08 26.6 8.56 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 67.2 m80 56.54 103.66 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 121.782 0.801 . . . . 0.0 110.34 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.56 124.72 27.16 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.762 0.791 . . . . 0.0 110.166 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 8' ' ' HIS . 86.4 t60 -67.38 -40.52 85.69 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.478 0.656 . . . . 0.0 109.786 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.667 ' CG ' ' H ' ' A' ' 9' ' ' SER . 0.8 OUTLIER -58.79 -153.88 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.794 0.807 . . . . 0.0 110.279 -179.137 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.667 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 6.8 p 66.91 -164.68 0.22 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.833 0.825 . . . . 0.0 110.675 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -71.75 126.82 30.69 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.722 0.772 . . . . 0.0 109.725 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -94.87 -94.35 0.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.816 0.817 . . . . 0.0 109.563 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 12' ' ' LEU . 10.8 mt -53.67 149.08 16.9 Favored Pre-proline 0 C--N 1.3 -1.545 0 O-C-N 121.962 -0.461 . . . . 0.0 110.086 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.29 141.56 0.74 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.801 2.334 . . . . 0.0 113.046 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.71 -31.44 72.62 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.402 0.62 . . . . 0.0 110.038 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.4 -49.6 73.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.404 -0.81 . . . . 0.0 109.996 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -67.82 -39.27 83.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.316 -0.865 . . . . 0.0 109.7 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.59 -42.32 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.559 -0.713 . . . . 0.0 109.488 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -63.98 -44.01 93.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.597 -0.689 . . . . 0.0 110.057 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.28 -44.5 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.327 -0.858 . . . . 0.0 109.682 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.81 -41.02 92.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.481 -0.762 . . . . 0.0 109.643 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -65.21 -41.6 94.33 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.542 0.687 . . . . 0.0 109.667 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.43 -44.11 97.7 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.528 -0.733 . . . . 0.0 109.951 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.519 ' CZ2' ' NE2' ' A' ' 27' ' ' HIS . 72.8 t-105 -64.34 -47.86 77.73 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.708 0.766 . . . . 0.0 109.562 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.7 -40.6 95.65 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.681 0.753 . . . . 0.0 110.009 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.473 ' CD1' ' NH2' ' A' ' 28' ' ' ARG . 75.4 t80 -60.24 -46.28 90.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.448 -0.782 . . . . 0.0 109.7 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.615 ' CG ' HH21 ' A' ' 83' ' ' ARG . 96.4 mt-10 -62.77 -48.23 80.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.403 -0.811 . . . . 0.0 109.57 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.566 ' O ' ' N ' ' A' ' 29' ' ' TYR . 89.1 m-70 -77.9 -77.38 0.16 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.44 -0.788 . . . . 0.0 109.675 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.584 ' NH2' ' SD ' ' A' ' 67' ' ' MET . 35.1 ttm180 57.41 -75.65 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.482 0.658 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.566 ' N ' ' O ' ' A' ' 27' ' ' HIS . 99.7 m-85 -61.31 -44.79 96.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.489 -0.757 . . . . 0.0 110.502 -178.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.495 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 77.2 m-20 -67.75 -61.87 1.68 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.098 -1.001 . . . . 0.0 109.589 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 45.9 98.7 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.916 0.865 . . . . 0.0 110.26 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 30' ' ' ASN . 41.7 m-85 -158.07 73.18 4.03 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.613 -0.679 . . . . 0.0 109.262 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.19 144.19 99.5 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.943 2.429 . . . . 0.0 112.3 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.9 t -160.37 170.49 20.92 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.75 0.786 . . . . 0.0 109.86 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -54.83 -22.21 13.75 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.536 0.684 . . . . 0.0 109.507 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -73.0 -57.68 3.86 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.499 -0.75 . . . . 0.0 109.477 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 37' ' ' GLU . 57.9 mp0 -72.35 -38.51 68.57 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.628 -0.67 . . . . 0.0 110.271 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.04 -43.24 99.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.349 -0.844 . . . . 0.0 109.53 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.97 76.41 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.652 0.739 . . . . 0.0 109.514 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.04 -45.26 86.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.506 -0.746 . . . . 0.0 110.031 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.14 -40.85 90.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.505 -0.747 . . . . 0.0 109.83 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.7 p -62.6 -39.26 93.17 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.505 0.669 . . . . 0.0 109.645 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -66.88 -44.8 79.95 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.535 -0.728 . . . . 0.0 109.461 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -70.57 -40.18 73.47 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.435 -0.791 . . . . 0.0 109.476 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p -87.11 165.79 15.49 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.814 0.816 . . . . 0.0 109.974 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -105.82 26.58 9.44 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.2 mt -109.42 150.42 28.1 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.755 0.788 . . . . 0.0 110.168 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.3 m -67.78 166.42 15.4 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.839 0.828 . . . . 0.0 110.395 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -61.94 -42.92 99.66 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.549 0.69 . . . . 0.0 109.595 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.5 -42.45 99.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.481 -0.762 . . . . 0.0 109.756 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.36 -40.37 95.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.499 -0.75 . . . . 0.0 109.368 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.92 -45.56 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.55 -0.719 . . . . 0.0 109.91 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.0 m -65.63 -45.75 81.85 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.366 -0.834 . . . . 0.0 109.417 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -64.96 -38.76 92.04 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.639 0.733 . . . . 0.0 109.393 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.402 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 85.7 t90 -58.35 -42.31 86.61 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.617 -0.677 . . . . 0.0 110.041 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -63.01 -44.39 96.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.41 -0.806 . . . . 0.0 110.104 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.61 -47.16 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.46 -0.775 . . . . 0.0 110.126 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -76.0 -44.58 38.89 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.44 -0.787 . . . . 0.0 110.247 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' LEU . . . -62.77 -44.81 95.2 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.549 -0.719 . . . . 0.0 110.072 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.53 -46.23 89.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.386 -0.821 . . . . 0.0 109.828 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.52 -16.49 63.45 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.439 -0.788 . . . . 0.0 110.039 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -102.1 -23.36 14.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.35 -0.844 . . . . 0.0 109.434 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 64' ' ' LEU . 69.3 mt -94.02 -70.21 0.72 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.34 -0.85 . . . . 0.0 110.909 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -31.39 -64.88 0.21 Allowed Pre-proline 0 N--CA 1.501 2.094 0 O-C-N 121.89 -0.506 . . . . 0.0 112.055 -178.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 17.4 Cg_endo -58.67 -55.92 1.78 Allowed 'Trans proline' 0 C--N 1.303 -1.849 0 C-N-CA 121.602 1.535 . . . . 0.0 112.633 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.56 -48.68 78.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.557 -0.714 . . . . 0.0 110.765 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.584 ' SD ' ' NH2' ' A' ' 28' ' ' ARG . 28.9 ttp -59.8 -46.36 89.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.423 -0.798 . . . . 0.0 110.395 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.54 -40.47 97.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.504 -0.747 . . . . 0.0 110.238 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -79.54 -17.71 53.43 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.372 -0.83 . . . . 0.0 109.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.41 -46.45 79.95 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -169.34 29.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 44.16 70.88 0.51 Allowed Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' HA ' HH12 ' A' ' 28' ' ' ARG . 64.4 tttp 58.94 112.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.786 0.803 . . . . 0.0 110.126 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.58 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER 179.99 -44.55 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.669 -0.644 . . . . 0.0 109.453 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 74' ' ' ASP . 32.5 Cg_exo -59.8 142.07 97.96 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.443 2.096 . . . . 0.0 112.482 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -148.96 100.57 3.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.626 -0.671 . . . . 0.0 109.446 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.18 -79.74 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.399 0.618 . . . . 0.0 109.723 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -79.65 160.3 26.39 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.813 0.816 . . . . 0.0 110.428 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 80' ' ' ILE . 7.7 t -75.76 -152.56 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.769 0.795 . . . . 0.0 110.371 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.492 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.1 tp -49.37 129.64 6.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 121.645 0.736 . . . . 0.0 110.705 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.405 ' H ' ' NH1' ' A' ' 83' ' ' ARG . 13.6 m -127.53 46.53 2.52 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.469 0.652 . . . . 0.0 109.257 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.6 ttp85 58.16 89.24 0.05 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.813 0.816 . . . . 0.0 110.322 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.615 HH21 ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -65.52 143.5 57.61 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.856 0.836 . . . . 0.0 110.189 -179.747 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 86' ' ' LYS . . . -86.64 90.98 1.7 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 52.76 6.62 0.05 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.833 -0.804 . . . . 0.0 109.492 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 84' ' ' GLY . 44.8 tttp -83.11 137.41 34.09 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.854 0.835 . . . . 0.0 110.291 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 87' ' ' ILE . 4.9 mp -84.49 -3.76 8.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.442 ' H ' ' HG2' ' A' ' 86' ' ' LYS . 4.0 p 72.2 4.4 5.0 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.525 0.679 . . . . 0.0 109.668 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.652 179.866 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 ttp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.84 -78.67 0.72 Allowed Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 80.5 m80 42.94 75.8 0.09 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.623 -0.928 . . . . 0.0 109.702 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -89.86 -1.43 57.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.492 -0.755 . . . . 0.0 109.082 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -60.88 -40.1 91.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.345 -0.847 . . . . 0.0 109.334 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -64.97 -171.38 0.07 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.461 -0.774 . . . . 0.0 110.463 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.1 m80 57.68 101.16 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.74 0.781 . . . . 0.0 109.96 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -69.79 142.05 53.25 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.726 0.774 . . . . 0.0 110.314 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m 55.48 -169.74 0.08 Allowed 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.704 0.764 . . . . 0.0 110.356 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -137.89 67.44 1.42 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.2 ttt -84.42 129.45 34.86 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.698 0.761 . . . . 0.0 109.684 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt -85.47 151.66 56.41 Favored Pre-proline 0 N--CA 1.488 1.438 0 O-C-N 121.702 -0.623 . . . . 0.0 109.665 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.28 157.4 0.17 Allowed 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.579 2.186 . . . . 0.0 113.001 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -60.69 -41.33 94.94 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.458 0.647 . . . . 0.0 109.859 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -59.57 -48.17 82.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.457 -0.777 . . . . 0.0 109.633 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.5 t -64.39 -42.05 96.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.463 -0.773 . . . . 0.0 109.708 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.0 -43.2 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.449 -0.782 . . . . 0.0 109.459 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -45.41 91.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.333 -0.854 . . . . 0.0 109.613 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.95 -45.05 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 CA-C-O 121.696 0.76 . . . . 0.0 109.526 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.88 -41.47 91.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.5 -0.75 . . . . 0.0 109.781 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -63.31 -43.27 98.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.428 -0.795 . . . . 0.0 109.637 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -62.3 -45.89 91.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.576 -0.703 . . . . 0.0 109.717 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.57 ' CD1' HD21 ' A' ' 41' ' ' LEU . 52.4 t-105 -63.09 -46.61 86.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.845 . . . . 0.0 109.413 -179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.19 -40.44 96.11 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.808 0.813 . . . . 0.0 109.218 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.613 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 58.4 t80 -60.65 -47.82 84.55 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.625 -0.672 . . . . 0.0 110.134 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.71 -38.98 77.13 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.425 -0.797 . . . . 0.0 110.064 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.53 46.28 0.93 Allowed 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.613 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 16.9 ptp180 -66.31 -30.27 70.64 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 121.504 0.669 . . . . 0.0 109.777 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -61.78 -43.44 98.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.408 -0.808 . . . . 0.0 109.443 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 92.0 m-20 -78.51 -104.95 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.464 -0.773 . . . . 0.0 109.652 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 30' ' ' ASN . . . 64.31 44.93 4.08 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.393 0.616 . . . . 0.0 109.808 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.476 ' C ' ' H ' ' A' ' 34' ' ' SER . 10.5 m-85 -99.81 153.46 37.76 Favored Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 109.335 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.58 19.37 0.18 Allowed 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.858 2.372 . . . . 0.0 111.334 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.476 ' H ' ' C ' ' A' ' 32' ' ' TYR . 32.1 t -63.42 149.23 46.46 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.724 0.773 . . . . 0.0 110.463 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.02 -34.16 77.77 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.507 0.67 . . . . 0.0 109.445 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.51 -40.17 95.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.456 -0.777 . . . . 0.0 109.468 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -65.96 -45.68 80.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.49 -0.756 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -66.04 -39.2 89.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.583 -0.698 . . . . 0.0 109.863 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.55 77.38 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.4 -0.813 . . . . 0.0 109.844 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.73 -43.01 97.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.327 -0.858 . . . . 0.0 109.682 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 23' ' ' TRP . 95.9 mt -65.85 -40.43 91.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.555 -0.716 . . . . 0.0 109.554 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -62.57 -36.48 82.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.589 -0.695 . . . . 0.0 109.504 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.22 -39.1 75.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.531 -0.73 . . . . 0.0 109.657 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -70.48 -39.87 73.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.451 -0.78 . . . . 0.0 109.908 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 47' ' ' LEU . 81.5 p -110.65 128.84 55.86 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.826 0.822 . . . . 0.0 109.719 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -71.05 44.33 0.08 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 121.336 0.588 . . . . 0.0 109.51 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 45' ' ' THR . 95.5 mt -114.87 149.24 37.45 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.74 0.781 . . . . 0.0 109.943 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.2 p -70.75 165.66 22.57 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.858 0.837 . . . . 0.0 110.236 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.0 p -63.14 -40.2 96.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.675 -0.641 . . . . 0.0 109.912 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.5 mp -63.5 -42.26 98.51 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.47 -0.769 . . . . 0.0 109.492 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -68.38 -43.69 76.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.313 -0.867 . . . . 0.0 109.624 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -67.5 -43.3 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.531 -0.73 . . . . 0.0 109.776 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.4 t -60.01 -41.98 93.33 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.554 -0.716 . . . . 0.0 110.117 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -62.68 -49.18 76.13 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.185 -0.947 . . . . 0.0 109.73 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -69.34 -38.73 78.28 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.658 0.742 . . . . 0.0 109.763 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -59.26 -46.18 89.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.567 -0.708 . . . . 0.0 110.035 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.2 -49.21 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.163 -0.96 . . . . 0.0 109.955 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -65.69 -42.47 91.17 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.474 -0.766 . . . . 0.0 109.826 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.89 -34.38 75.33 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.549 0.69 . . . . 0.0 109.82 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -55.38 -60.54 3.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.446 -0.784 . . . . 0.0 109.258 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.582 ' NE ' ' NH2' ' A' ' 83' ' ' ARG . 84.1 mtt85 -61.68 -31.9 72.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.559 -0.713 . . . . 0.0 110.55 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -80.0 -15.23 57.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.387 -0.821 . . . . 0.0 110.948 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' LEU . 95.2 mt -114.34 -56.36 2.4 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.22 -0.925 . . . . 0.0 111.462 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . 3.7 mm? -36.87 -63.87 0.43 Allowed Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 121.655 -0.653 . . . . 0.0 111.41 -178.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.451 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 12.0 Cg_endo -56.52 -39.32 92.12 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 121.582 1.521 . . . . 0.0 111.663 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.39 -49.93 67.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.656 -0.653 . . . . 0.0 109.964 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -67.19 -42.5 84.09 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.67 0.748 . . . . 0.0 109.493 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.62 -41.25 96.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.54 -0.725 . . . . 0.0 109.876 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -62.3 -42.28 99.23 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.428 0.632 . . . . 0.0 109.759 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -62.41 -42.11 99.19 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.423 -0.798 . . . . 0.0 110.503 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -83.32 -5.77 59.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.198 -0.939 . . . . 0.0 109.425 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.43 18.58 79.85 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -86.4 149.4 25.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.419 -1.047 . . . . 0.0 110.455 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.48 153.35 44.18 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 121.701 -0.625 . . . . 0.0 109.587 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.61 139.11 62.31 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.83 2.353 . . . . 0.0 112.38 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -114.27 4.18 15.36 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -133.18 -159.94 1.01 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.487 -0.758 . . . . 0.0 109.815 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -93.1 116.7 29.28 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.868 0.842 . . . . 0.0 110.155 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -162.49 122.73 2.42 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.637 0.732 . . . . 0.0 109.344 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.758 ' N ' HD12 ' A' ' 80' ' ' ILE . 2.1 mp -85.66 -77.39 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.645 -0.659 . . . . 0.0 109.883 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.571 ' O ' ' N ' ' A' ' 83' ' ' ARG . 31.2 p -156.54 87.16 1.02 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.449 -0.782 . . . . 0.0 109.742 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 57.52 -72.21 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.323 0.582 . . . . 0.0 110.347 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.582 ' NH2' ' NE ' ' A' ' 61' ' ' ARG . 56.2 ttp180 61.47 77.04 0.35 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.666 0.746 . . . . 0.0 109.957 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.52 156.96 38.25 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.24 145.34 54.36 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.838 -0.801 . . . . 0.0 110.286 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.7 tttt 59.07 116.17 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 122.018 0.914 . . . . 0.0 110.677 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.6 mt 52.62 100.6 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-O 121.93 0.871 . . . . 0.0 110.483 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -78.6 164.24 24.83 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.69 0.757 . . . . 0.0 110.372 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.374 -179.839 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.597 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.439 ' H ' ' H2 ' ' A' ' 1' ' ' MET . . . 84.83 173.42 49.85 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -154.33 -10.26 0.14 Allowed 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.477 ' O ' ' ND1' ' A' ' 6' ' ' HIS . 56.9 p-80 -158.41 -156.16 0.53 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.494 -0.754 . . . . 0.0 109.998 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.6 t60 62.33 2.13 0.82 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.638 -0.664 . . . . 0.0 109.28 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 4' ' ' HIS . 73.8 m80 -92.95 13.96 19.06 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 9' ' ' SER . 77.2 m80 -54.52 -10.67 0.44 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.187 -0.946 . . . . 0.0 109.206 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' HIS . 77.1 m80 -40.11 90.55 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 121.394 0.616 . . . . 0.0 110.373 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' HIS . 29.0 m -154.62 -67.68 0.13 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.4 ' ND1' ' N ' ' A' ' 10' ' ' HIS . 7.9 p-80 -153.3 161.86 41.91 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.271 -0.893 . . . . 0.0 110.08 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.411 ' CG ' ' H ' ' A' ' 12' ' ' LEU . 1.9 ptt? -98.85 -103.79 0.21 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.536 -0.728 . . . . 0.0 109.917 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.411 ' H ' ' CG ' ' A' ' 11' ' ' MET . 10.3 mt -52.97 147.62 15.81 Favored Pre-proline 0 N--CA 1.488 1.446 0 O-C-N 121.55 -0.719 . . . . 0.0 109.74 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.08 152.11 83.42 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.339 2.026 . . . . 0.0 112.375 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HZ2' HH22 ' A' ' 21' ' ' ARG . 56.5 tttp -62.5 -36.48 82.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.377 -0.827 . . . . 0.0 109.563 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -58.32 -53.42 58.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 109.712 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -63.52 -41.73 98.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 0.0 109.887 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.06 -43.47 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.481 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HA ' ' HE ' ' A' ' 21' ' ' ARG . 62.1 tt0 -59.59 -40.54 87.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.317 -0.864 . . . . 0.0 109.761 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.59 -43.95 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.255 -0.903 . . . . 0.0 109.45 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.21 -43.09 99.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.259 -0.901 . . . . 0.0 109.564 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.53 ' NH1' ' OG1' ' A' ' 79' ' ' THR . 90.1 mtm180 -67.21 -38.36 85.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.374 -0.828 . . . . 0.0 109.379 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.78 -46.71 89.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.327 -0.858 . . . . 0.0 109.836 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.509 ' NE1' ' OE2' ' A' ' 37' ' ' GLU . 64.4 t-105 -66.98 -42.29 85.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.478 -0.764 . . . . 0.0 109.516 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.16 -40.92 90.91 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.13 -0.981 . . . . 0.0 109.761 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.33 -48.67 78.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.294 -0.879 . . . . 0.0 109.58 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' OE2' ' CE3' ' A' ' 23' ' ' TRP . 16.3 pt-20 -70.89 -35.79 72.47 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.233 -0.917 . . . . 0.0 109.021 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 28' ' ' ARG . 9.2 t-160 -80.38 -81.55 0.12 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.293 -0.879 . . . . 0.0 109.705 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' ASN . 16.1 ptm180 32.59 -146.14 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.123 0.487 . . . . 0.0 110.913 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 53.44 -84.06 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.649 -0.657 . . . . 0.0 109.793 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 28' ' ' ARG . 15.2 t-20 -112.55 10.76 19.61 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.4 92.9 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.412 -0.805 . . . . 0.0 109.234 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 30' ' ' ASN . 39.0 p90 -92.87 147.27 33.67 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.303 -0.873 . . . . 0.0 109.521 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.98 141.28 52.77 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.319 2.013 . . . . 0.0 112.44 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -161.23 157.65 26.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 109.642 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.18 -37.78 81.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.348 -0.845 . . . . 0.0 109.266 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.26 -44.84 86.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.292 -0.88 . . . . 0.0 109.64 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.509 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 50.1 tp10 -68.87 -47.11 66.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 0.0 109.569 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 98.4 mttt -64.95 -40.67 95.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.492 -0.755 . . . . 0.0 109.951 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.3 85.81 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.288 -0.882 . . . . 0.0 109.35 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.13 -43.99 96.85 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.593 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.71 -41.22 96.14 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.371 -0.831 . . . . 0.0 109.614 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.2 p -61.67 -41.09 97.07 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.323 -0.86 . . . . 0.0 109.504 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.49 -38.86 77.86 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.255 -0.903 . . . . 0.0 109.318 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.74 -40.91 88.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.454 -0.779 . . . . 0.0 109.656 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 p -97.65 -3.07 40.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.197 -0.94 . . . . 0.0 108.828 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 42' ' ' SER . 59.8 t-80 59.08 12.93 2.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.532 -0.73 . . . . 0.0 109.245 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.6 mt -80.97 163.02 23.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.349 -0.845 . . . . 0.0 110.477 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.5 m -72.53 152.69 41.72 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.495 -0.753 . . . . 0.0 110.386 -179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.7 m -62.58 -43.26 99.26 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.704 -0.622 . . . . 0.0 109.324 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.42 -43.45 98.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.458 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.94 -45.31 86.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.341 -0.85 . . . . 0.0 109.934 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.46 -43.28 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 109.701 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.425 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 36.0 t -61.72 -49.63 75.67 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.302 -0.874 . . . . 0.0 109.906 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -63.93 -42.12 97.44 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.136 -0.977 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -67.74 -40.08 84.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.542 -0.723 . . . . 0.0 109.792 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.04 -47.9 83.56 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.402 -0.812 . . . . 0.0 110.122 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.79 -45.83 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.131 -0.981 . . . . 0.0 110.261 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -68.33 -40.6 81.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.231 -0.918 . . . . 0.0 110.439 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.67 88.8 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.318 -0.864 . . . . 0.0 110.172 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -64.71 -39.66 94.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.107 -0.996 . . . . 0.0 110.012 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -74.28 -7.65 53.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.52 -0.738 . . . . 0.0 110.052 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.504 ' NH2' ' HB2' ' A' ' 85' ' ' ALA . 84.6 mmt-85 -120.65 -5.98 9.7 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.381 -0.824 . . . . 0.0 110.064 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -110.98 -58.95 2.03 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.282 -0.886 . . . . 0.0 110.36 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.42 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -47.98 -50.86 51.79 Favored Pre-proline 0 C--N 1.304 -1.403 0 O-C-N 121.261 -0.899 . . . . 0.0 110.138 -178.424 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 35.6 Cg_exo -53.78 -44.46 48.95 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 121.403 1.402 . . . . 0.0 111.53 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.44 -46.7 38.18 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.655 -0.653 . . . . 0.0 110.463 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 96.2 mmm -62.47 -44.26 96.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.255 -0.903 . . . . 0.0 109.503 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.12 -40.76 86.86 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.393 -0.817 . . . . 0.0 109.958 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -64.53 -43.31 94.41 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.178 -0.951 . . . . 0.0 109.817 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -59.49 -56.71 18.59 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.075 -1.016 . . . . 0.0 109.125 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 73' ' ' LYS . 63.2 t0 -178.69 69.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.86 -79.31 0.01 OUTLIER Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.777 -1.202 . . . . 0.0 110.326 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.8 pttp -137.17 97.76 3.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.307 -1.113 . . . . 0.0 108.391 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -118.67 119.54 32.54 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.589 -0.694 . . . . 0.0 109.25 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' A' ' 77' ' ' GLN . 60.7 Cg_endo -76.53 -87.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.794 1.662 . . . . 0.0 111.81 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 41.0 -92.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 121.503 0.668 . . . . 0.0 110.418 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 75' ' ' PRO . 8.7 pt20 -96.2 125.38 40.68 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.358 -0.839 . . . . 0.0 109.826 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -77.67 -95.0 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.523 -0.735 . . . . 0.0 110.281 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.53 ' OG1' ' NH1' ' A' ' 21' ' ' ARG . 18.9 m -87.44 127.14 35.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.892 . . . . 0.0 110.043 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 80' ' ' ILE . 96.5 mt -98.06 3.04 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER 81.18 37.13 0.08 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.519 -0.738 . . . . 0.0 109.339 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -95.44 0.48 53.37 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.353 -0.842 . . . . 0.0 109.128 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -63.68 138.32 58.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.209 -0.932 . . . . 0.0 110.32 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.54 88.75 1.61 Allowed Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.504 ' HB2' ' NH2' ' A' ' 62' ' ' ARG . . . -68.26 148.33 50.95 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -1.126 . . . . 0.0 110.243 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -87.7 29.41 0.9 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.33 -0.856 . . . . 0.0 109.102 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.3 pt -80.51 145.07 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.118 -0.989 . . . . 0.0 110.508 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m 62.92 91.52 0.07 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.596 -0.69 . . . . 0.0 109.935 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 117.942 -1.028 . . . . 0.0 109.469 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.36 0.55 88.9 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 4' ' ' HIS . 86.5 t60 -66.18 -43.05 87.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.419 -1.048 . . . . 0.0 109.544 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 3' ' ' HIS . 96.6 m-70 57.8 119.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.787 0.804 . . . . 0.0 110.03 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -81.49 -12.68 58.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.401 -0.812 . . . . 0.0 109.054 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 53.6 -170.42 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 122.042 0.925 . . . . 0.0 110.783 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 48.46 60.72 3.46 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.727 0.775 . . . . 0.0 109.615 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -156.56 156.96 34.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.5 -0.75 . . . . 0.0 109.751 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.4 m -158.87 93.01 1.14 Allowed 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.714 ' CD2' ' H ' ' A' ' 11' ' ' MET . 34.4 p-80 -82.17 -118.19 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.616 0.722 . . . . 0.0 109.86 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.714 ' H ' ' CD2' ' A' ' 10' ' ' HIS . 41.9 ttp 57.32 154.56 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.902 0.858 . . . . 0.0 110.251 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 12' ' ' LEU . 6.1 mt -54.31 150.44 16.4 Favored Pre-proline 0 N--CA 1.488 1.468 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' O ' HG23 ' A' ' 17' ' ' VAL . 37.5 Cg_endo -65.41 163.44 29.62 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.632 2.222 . . . . 0.0 112.843 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -58.97 -40.15 83.88 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.377 0.608 . . . . 0.0 109.531 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -56.95 -46.47 82.11 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.298 -0.876 . . . . 0.0 109.425 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -67.51 -36.46 81.09 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.355 -0.841 . . . . 0.0 109.457 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 13' ' ' PRO . 71.0 t -63.78 -43.73 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.461 -0.775 . . . . 0.0 109.384 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -62.86 -43.11 99.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.407 -0.808 . . . . 0.0 109.37 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.96 -45.95 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.334 -0.854 . . . . 0.0 109.56 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.07 -40.05 82.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.534 -0.729 . . . . 0.0 109.714 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -62.12 -42.14 98.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.467 -0.771 . . . . 0.0 109.662 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.71 -45.05 95.62 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.473 -0.767 . . . . 0.0 109.379 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -65.46 -42.64 92.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.538 -0.726 . . . . 0.0 109.436 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.2 tp -67.92 -35.88 79.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.464 -0.773 . . . . 0.0 109.624 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -59.06 -48.54 81.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.424 -0.797 . . . . 0.0 109.672 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.18 -34.94 71.38 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.493 -0.754 . . . . 0.0 109.993 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.716 ' CE1' ' NH1' ' A' ' 83' ' ' ARG . 38.9 m80 -105.9 38.26 2.05 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.329 -0.857 . . . . 0.0 109.091 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 32.2 ptt180 -60.89 -34.78 75.16 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -61.55 -41.53 97.51 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -90.08 90.82 8.29 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.769 0.795 . . . . 0.0 109.119 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 32' ' ' TYR . . . -95.99 68.03 2.71 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.53 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 1.7 t80 165.57 94.49 0.02 OUTLIER Pre-proline 0 C--N 1.301 -1.516 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -81.49 144.49 14.28 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.634 2.223 . . . . 0.0 112.437 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -80.77 171.15 15.38 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.871 0.843 . . . . 0.0 110.652 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -53.21 -43.74 67.45 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.5 0.667 . . . . 0.0 109.821 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -66.66 -41.85 87.54 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.298 -0.876 . . . . 0.0 109.485 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -66.7 -38.57 87.02 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.462 -0.774 . . . . 0.0 109.441 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -63.59 -39.29 94.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.52 -0.738 . . . . 0.0 109.427 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.72 93.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.487 -0.758 . . . . 0.0 109.272 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.54 -44.8 93.14 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.468 -0.77 . . . . 0.0 109.604 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.19 -40.31 90.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.553 -0.717 . . . . 0.0 109.453 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.7 p -61.83 -39.47 91.92 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.431 -0.793 . . . . 0.0 109.498 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -68.7 -36.56 78.64 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 121.713 0.768 . . . . 0.0 109.334 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -64.38 -38.63 91.71 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.621 0.725 . . . . 0.0 109.171 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.9 p -98.8 -8.73 25.42 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.338 -0.851 . . . . 0.0 108.912 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 42' ' ' SER . 27.6 m-70 64.91 5.73 3.03 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.577 0.703 . . . . 0.0 109.23 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.4 mt -85.57 160.47 19.63 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.861 0.839 . . . . 0.0 110.375 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.8 m -73.15 155.42 39.66 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.719 0.771 . . . . 0.0 110.214 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 p -64.23 -35.75 81.83 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.553 0.692 . . . . 0.0 109.421 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.42 -42.63 98.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.505 -0.747 . . . . 0.0 109.283 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -66.73 -41.59 87.63 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.514 -0.741 . . . . 0.0 109.444 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.97 -43.21 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 CA-C-O 121.583 0.706 . . . . 0.0 109.531 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.3 t -57.67 -47.63 81.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.47 -0.768 . . . . 0.0 109.889 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -64.05 -44.7 91.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.461 -0.775 . . . . 0.0 109.709 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.42 ' CE2' ' HB2' ' A' ' 59' ' ' ALA . 73.4 t90 -66.13 -38.92 89.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.509 -0.745 . . . . 0.0 109.541 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.11 -43.68 91.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.619 -0.676 . . . . 0.0 109.798 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.6 -46.29 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.339 -0.851 . . . . 0.0 109.727 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -70.01 -43.19 71.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.219 -0.926 . . . . 0.0 109.727 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' A' ' 55' ' ' TRP . . . -64.62 -36.61 84.82 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.426 -0.796 . . . . 0.0 109.308 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -66.88 -42.41 85.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.531 -0.731 . . . . 0.0 109.758 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -70.12 -16.52 63.12 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.455 -0.778 . . . . 0.0 110.292 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -107.82 -31.05 8.19 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.326 -0.859 . . . . 0.0 110.363 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.9 mt -94.82 -40.9 9.5 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.081 -1.012 . . . . 0.0 111.168 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.598 ' N ' ' HD2' ' A' ' 65' ' ' PRO . 6.4 tp -53.37 -50.01 85.12 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.181 -0.95 . . . . 0.0 110.836 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 64' ' ' LEU . 19.0 Cg_endo -58.12 -37.96 93.46 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.442 1.428 . . . . 0.0 111.997 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -69.47 -44.33 71.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.596 -0.69 . . . . 0.0 109.834 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 22.0 mmt -66.43 -40.93 89.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.607 -0.683 . . . . 0.0 109.447 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 72' ' ' GLY . 82.7 mt -64.73 -39.97 94.54 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.552 -0.717 . . . . 0.0 109.629 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -62.72 -40.79 98.29 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.355 -0.84 . . . . 0.0 109.48 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.51 -43.16 94.96 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.434 -0.791 . . . . 0.0 109.288 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.49 ' OD2' ' CZ ' ' A' ' 28' ' ' ARG . 97.7 m-20 -85.37 -76.68 0.31 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.364 -0.835 . . . . 0.0 109.564 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 68' ' ' LEU . . . -159.04 -110.96 0.29 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -162.63 127.12 3.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.383 -1.069 . . . . 0.0 109.779 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.77 151.7 40.12 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.528 -0.732 . . . . 0.0 109.937 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.84 -80.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.736 2.291 . . . . 0.0 112.42 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -84.44 140.85 31.22 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.966 0.888 . . . . 0.0 110.133 -179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -64.94 -31.13 72.22 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -94.5 119.57 33.4 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.292 -0.88 . . . . 0.0 109.597 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.5 p -81.27 167.78 19.17 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.89 0.852 . . . . 0.0 110.493 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.481 ' O ' ' CB ' ' A' ' 81' ' ' SER . 34.5 pt -82.6 -5.19 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.668 -0.645 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 80' ' ' ILE . 3.0 p 79.41 116.82 0.06 Allowed 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.665 0.745 . . . . 0.0 110.296 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -94.98 -15.9 23.18 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.716 ' NH1' ' CE1' ' A' ' 27' ' ' HIS . 84.5 mtp180 -126.54 11.74 7.39 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.48 45.09 0.62 Allowed Glycine 0 N--CA 1.498 2.817 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' A' ' 83' ' ' ARG . . . -65.07 145.95 55.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.417 -1.049 . . . . 0.0 110.11 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -80.06 155.38 27.59 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.696 0.76 . . . . 0.0 110.6 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.766 HD12 ' N ' ' A' ' 87' ' ' ILE . 1.9 mp -82.03 131.66 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 CA-C-O 121.862 0.839 . . . . 0.0 110.307 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.4 p -72.3 159.66 33.68 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.812 0.815 . . . . 0.0 110.374 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.158 -179.604 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 ttm . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.238 0.542 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.52 -61.91 0.34 Allowed Glycine 0 N--CA 1.489 2.214 0 N-CA-C 108.952 -1.659 . . . . 0.0 108.952 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.453 ' C ' ' HD1' ' A' ' 3' ' ' HIS . 5.4 t-80 45.36 68.75 0.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.499 -1.001 . . . . 0.0 109.616 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -132.64 120.0 21.18 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.682 -0.636 . . . . 0.0 109.289 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -96.49 -93.38 0.21 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 0.0 109.52 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -156.85 158.01 35.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 0.0 110.055 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -154.35 -46.26 0.09 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 44.43 85.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.586 -0.696 . . . . 0.0 109.677 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -72.59 143.24 48.3 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.602 0.715 . . . . 0.0 110.672 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -67.04 -40.47 87.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.661 -0.649 . . . . 0.0 109.869 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 tpt -51.56 143.51 12.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.515 -0.741 . . . . 0.0 110.252 -178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.503 HD11 ' CG ' ' A' ' 55' ' ' TRP . 5.8 mt -76.19 155.39 84.27 Favored Pre-proline 0 N--CA 1.487 1.402 0 O-C-N 121.507 -0.746 . . . . 0.0 109.204 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.84 156.98 0.38 Allowed 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.911 1.741 . . . . 0.0 112.495 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -60.05 -43.35 95.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.453 -0.779 . . . . 0.0 109.49 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -66.58 -38.33 86.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.433 -0.792 . . . . 0.0 109.664 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -63.41 -41.12 98.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.17 -43.47 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.379 -0.826 . . . . 0.0 109.636 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.67 -45.14 94.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.374 -0.829 . . . . 0.0 110.002 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.86 -45.66 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.205 -0.935 . . . . 0.0 109.64 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.73 -40.85 88.54 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.445 -0.784 . . . . 0.0 109.228 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.85 -39.97 96.02 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' A' ' 81' ' ' SER . 62.8 t0 -58.52 -49.27 78.0 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.296 -0.877 . . . . 0.0 109.819 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.569 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 62.9 t-105 -62.8 -46.27 88.77 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.302 -0.874 . . . . 0.0 109.164 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.412 HD13 ' NH2' ' A' ' 60' ' ' ARG . 46.4 tp -62.31 -41.0 98.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.464 -0.773 . . . . 0.0 108.946 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CD2' ' NH1' ' A' ' 28' ' ' ARG . 52.8 t80 -60.05 -47.38 86.1 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.765 -0.585 . . . . 0.0 110.089 -178.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.0 -21.79 65.93 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.411 -0.806 . . . . 0.0 110.098 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.569 ' CE1' ' CE2' ' A' ' 23' ' ' TRP . 1.4 m80 -88.64 -85.88 0.18 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.163 -0.961 . . . . 0.0 110.412 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.571 ' NH1' ' CD2' ' A' ' 25' ' ' TYR . 89.3 mtm-85 46.12 -173.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.605 -0.684 . . . . 0.0 110.449 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 50.02 -82.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.375 0.607 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' ARG . 93.3 m-20 -68.67 -66.87 0.52 Allowed 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.596 -0.69 . . . . 0.0 109.805 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 56.77 116.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.583 0.706 . . . . 0.0 110.269 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' SER . 7.3 p90 -152.93 66.04 5.94 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.34 -0.85 . . . . 0.0 109.212 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -45.02 84.32 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.624 2.216 . . . . 0.0 111.766 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' TYR . 11.4 p -81.24 168.95 17.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.433 -0.792 . . . . 0.0 110.538 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -62.78 -43.29 99.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.603 -0.686 . . . . 0.0 109.269 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -66.2 -39.86 89.97 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.415 -0.803 . . . . 0.0 109.473 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.557 ' CD ' ' HE1' ' A' ' 23' ' ' TRP . 80.4 tt0 -65.71 -46.07 80.37 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.282 -0.886 . . . . 0.0 109.611 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.37 -42.94 92.21 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.422 -0.799 . . . . 0.0 109.581 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.9 99.2 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.518 -0.739 . . . . 0.0 109.379 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.86 -44.97 91.52 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.414 -0.804 . . . . 0.0 109.966 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.94 -40.57 91.48 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.441 -0.787 . . . . 0.0 109.56 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.2 p -62.12 -36.31 81.38 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.439 -0.788 . . . . 0.0 109.527 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -66.61 -42.33 87.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.219 -0.926 . . . . 0.0 109.634 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.47 -39.05 85.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.501 -0.749 . . . . 0.0 109.853 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.445 ' C ' ' H ' ' A' ' 47' ' ' LEU . 43.4 p -94.68 -4.56 47.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.337 -0.852 . . . . 0.0 109.088 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' SER . 86.4 t60 57.25 0.74 0.09 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.681 -0.637 . . . . 0.0 110.807 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' H ' ' C ' ' A' ' 45' ' ' THR . 82.3 mt -77.49 157.99 30.17 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.85 -1.156 . . . . 0.0 109.899 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -68.06 158.68 32.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.497 -0.752 . . . . 0.0 111.132 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.7 p -65.56 -35.71 81.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.619 -0.676 . . . . 0.0 109.748 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 50' ' ' LEU . 11.1 mp -62.97 -42.08 99.73 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.278 -0.889 . . . . 0.0 109.291 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.39 -46.62 72.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.311 -0.868 . . . . 0.0 110.03 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.01 -42.9 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.237 -0.915 . . . . 0.0 109.209 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.11 -58.6 7.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.586 -0.696 . . . . 0.0 110.254 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -61.52 -40.73 95.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.316 -0.865 . . . . 0.0 109.425 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.503 ' CG ' HD11 ' A' ' 12' ' ' LEU . 81.1 t90 -59.5 -38.01 79.79 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.4 -0.813 . . . . 0.0 109.417 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -45.27 95.28 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.847 . . . . 0.0 110.162 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 57' ' ' ILE . 2.2 mp -62.2 -48.04 90.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.191 -0.943 . . . . 0.0 109.807 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -71.95 -46.21 58.29 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.252 -0.905 . . . . 0.0 110.218 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.01 85.81 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.542 -0.724 . . . . 0.0 110.32 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' NH2' HD13 ' A' ' 24' ' ' LEU . 59.6 ttm-85 -66.01 -43.26 88.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.031 -1.043 . . . . 0.0 109.992 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -73.69 -16.56 61.2 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.4 -0.812 . . . . 0.0 110.548 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -101.38 -43.96 5.78 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.256 -0.903 . . . . 0.0 109.95 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.97 -40.48 95.06 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.435 -0.79 . . . . 0.0 110.528 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 3.4 mt -55.68 -64.67 2.0 Allowed Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.037 -1.039 . . . . 0.0 111.024 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 9.8 Cg_endo -52.08 -46.1 34.67 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.88 1.72 . . . . 0.0 111.763 -178.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -71.45 -39.13 71.17 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.482 -0.761 . . . . 0.0 109.743 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.439 ' SD ' ' C ' ' A' ' 67' ' ' MET . 2.1 tmt? -64.42 -43.71 93.51 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.297 -0.877 . . . . 0.0 110.017 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.98 -43.73 94.87 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.292 -0.88 . . . . 0.0 109.727 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -73.24 -46.32 50.88 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.443 -0.785 . . . . 0.0 110.42 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.92 -43.33 88.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.334 -0.854 . . . . 0.0 109.395 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -84.58 -73.91 0.41 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.609 -0.682 . . . . 0.0 109.375 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.28 34.55 32.41 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.4 tttp 73.89 38.51 0.58 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.758 -0.848 . . . . 0.0 109.665 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.452 ' OD1' ' ND2' ' A' ' 76' ' ' ASN . 9.1 t70 -154.14 82.67 4.35 Favored Pre-proline 0 N--CA 1.49 1.534 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.434 ' O ' ' OD1' ' A' ' 76' ' ' ASN . 52.9 Cg_exo -54.34 138.37 72.94 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.61 2.207 . . . . 0.0 112.42 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.452 ' ND2' ' OD1' ' A' ' 74' ' ' ASP . 87.6 m-20 -154.12 -40.58 0.09 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.617 -0.677 . . . . 0.0 109.401 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.527 ' OE1' ' N ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -73.21 133.91 44.15 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 110.083 -179.22 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.527 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 75.6 m-85 -67.81 131.11 44.92 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.407 -0.808 . . . . 0.0 110.234 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 t -151.03 35.8 0.6 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.8 tt -80.43 135.9 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.475 -0.766 . . . . 0.0 109.507 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.541 ' N ' ' OD2' ' A' ' 22' ' ' ASP . 10.8 p -59.69 135.71 57.76 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.392 -0.818 . . . . 0.0 110.288 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -99.7 7.36 45.19 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.3 ptt85 -53.36 139.6 29.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.414 -0.804 . . . . 0.0 110.583 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -54.45 94.2 0.02 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.26 145.34 51.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.45 -1.029 . . . . 0.0 110.192 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -69.77 135.34 49.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.439 -0.788 . . . . 0.0 110.009 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -138.47 132.01 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.566 -0.709 . . . . 0.0 109.417 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.5 m -71.76 148.56 46.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.327 -0.858 . . . . 0.0 110.209 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.774 -179.841 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 ttp . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.42 -179.3 53.55 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -105.95 101.59 11.07 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.557 -0.966 . . . . 0.0 109.709 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -167.99 80.88 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.508 -0.745 . . . . 0.0 109.104 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -99.7 4.69 45.66 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -59.46 -41.3 89.38 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.397 -0.814 . . . . 0.0 109.45 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -148.91 154.9 40.1 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.893 -1.129 . . . . 0.0 109.632 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -116.71 145.28 43.57 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 121.839 0.828 . . . . 0.0 110.105 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m 63.24 -164.73 0.25 Allowed 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.911 0.862 . . . . 0.0 111.087 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -139.08 62.22 1.54 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.315 -0.866 . . . . 0.0 108.975 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 98.1 mmm -83.16 141.49 31.9 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.718 0.77 . . . . 0.0 110.048 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -84.23 169.06 18.03 Favored Pre-proline 0 C--N 1.304 -1.395 0 O-C-N 121.797 -0.565 . . . . 0.0 109.982 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.83 151.38 77.57 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.891 2.394 . . . . 0.0 113.011 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -55.47 -36.42 66.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.574 -0.704 . . . . 0.0 109.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.48 -46.4 90.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.263 -0.898 . . . . 0.0 109.46 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -64.61 -40.19 95.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.45 -0.781 . . . . 0.0 109.263 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.19 -43.86 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.443 -0.786 . . . . 0.0 109.287 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -62.53 -44.57 96.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 0.0 109.521 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.84 -45.54 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.311 -0.868 . . . . 0.0 109.681 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.9 -39.82 87.53 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.452 -0.78 . . . . 0.0 109.623 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.76 -42.57 97.7 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.522 -0.736 . . . . 0.0 109.592 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.31 -52.62 64.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.379 -0.826 . . . . 0.0 110.083 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.568 ' CE2' ' ND1' ' A' ' 27' ' ' HIS . 88.8 t90 -58.03 -40.91 82.04 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 25' ' ' TYR . 58.0 tp -73.28 -43.27 61.3 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 118.313 -1.355 . . . . 0.0 113.962 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.467 ' CE1' ' NH1' ' A' ' 28' ' ' ARG . 90.3 t80 -54.86 -51.24 66.53 Favored 'General case' 0 N--CA 1.533 3.721 0 O-C-N 116.567 -3.833 . . . . 0.0 108.342 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' OE2' ' CE1' ' A' ' 27' ' ' HIS . 12.7 pt-20 -61.94 -22.47 65.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.749 -1.219 . . . . 0.0 110.596 178.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.568 ' ND1' ' CE2' ' A' ' 23' ' ' TRP . 36.9 m80 -117.82 33.64 5.54 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.16 -0.963 . . . . 0.0 109.382 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' NH1' ' CE1' ' A' ' 25' ' ' TYR . 34.9 ptt180 -65.86 -38.07 87.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.398 -0.814 . . . . 0.0 109.315 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -91.69 -17.66 25.13 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.336 -0.853 . . . . 0.0 109.276 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 32' ' ' TYR . 82.9 m-20 -91.65 12.06 22.36 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.41 86.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.718 0.77 . . . . 0.0 109.754 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.549 ' N ' ' O ' ' A' ' 30' ' ' ASN . 56.3 m-85 -141.52 70.51 26.13 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -44.45 82.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.942 2.428 . . . . 0.0 111.892 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 32' ' ' TYR . 17.2 m -95.32 -174.28 3.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.366 -0.833 . . . . 0.0 110.255 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.54 -42.1 83.26 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.613 0.72 . . . . 0.0 110.29 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -79.56 -39.87 30.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.876 . . . . 0.0 109.768 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.565 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 12.6 mp0 -65.04 -49.01 71.8 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.318 -0.864 . . . . 0.0 109.911 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' A' ' 39' ' ' ALA . 18.4 ptmt -65.21 -40.04 93.62 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.314 -0.866 . . . . 0.0 109.398 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 38' ' ' LYS . . . -65.48 -37.78 87.83 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.625 0.726 . . . . 0.0 109.17 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.9 tt -62.64 -46.59 87.55 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.869 0.842 . . . . 0.0 109.378 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.483 HD21 ' CG ' ' A' ' 23' ' ' TRP . 97.2 mt -63.52 -43.96 95.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 0.0 109.903 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 49' ' ' THR . 73.4 m -64.73 -40.51 95.46 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.401 -0.812 . . . . 0.0 109.628 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -65.7 -40.19 92.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.374 -0.829 . . . . 0.0 109.514 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -64.88 -39.76 94.05 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.215 -0.928 . . . . 0.0 109.438 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -96.77 169.84 9.59 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.956 0.884 . . . . 0.0 109.758 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -99.64 28.58 4.58 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.6 mt -115.6 154.02 30.19 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.865 0.841 . . . . 0.0 109.955 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -72.03 166.0 23.11 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.79 0.805 . . . . 0.0 110.28 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.468 HG22 ' OG ' ' A' ' 42' ' ' SER . 46.2 p -65.2 -32.01 73.48 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.663 0.744 . . . . 0.0 109.272 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 tp -62.94 -42.6 99.86 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.32 -0.863 . . . . 0.0 109.499 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -66.46 -42.14 88.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.44 -0.787 . . . . 0.0 109.778 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.67 -42.33 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.444 -0.785 . . . . 0.0 109.659 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.589 ' SG ' ' NH1' ' A' ' 82' ' ' ARG . 7.1 t -56.5 -45.75 80.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.26 -0.9 . . . . 0.0 109.898 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -63.9 -44.14 93.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 109.837 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -67.57 -40.43 84.89 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.396 -0.815 . . . . 0.0 110.066 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.07 -43.65 95.3 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.42 -0.8 . . . . 0.0 110.091 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.06 -45.27 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.23 -0.918 . . . . 0.0 110.015 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.607 ' ND2' ' CZ ' ' A' ' 62' ' ' ARG . 41.4 t30 -72.62 -46.02 56.19 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 122.049 0.928 . . . . 0.0 109.933 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.56 81.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.086 -1.009 . . . . 0.0 109.558 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.759 HH12 ' H ' ' A' ' 79' ' ' THR . 67.6 ttp85 -63.67 -57.68 9.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.374 -0.829 . . . . 0.0 109.908 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.46 -8.23 8.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.403 -0.81 . . . . 0.0 109.803 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.607 ' CZ ' ' ND2' ' A' ' 58' ' ' ASN . 82.7 mtm180 -102.76 -25.63 13.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.449 -0.782 . . . . 0.0 109.481 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' LEU . 79.9 mt -101.21 -56.84 2.21 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.069 -1.02 . . . . 0.0 110.4 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' N ' ' HD2' ' A' ' 65' ' ' PRO . 4.0 mm? -39.72 -57.54 2.5 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.714 -0.616 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 64' ' ' LEU . 24.3 Cg_exo -38.65 -47.85 2.62 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 121.66 1.574 . . . . 0.0 111.551 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.3 -50.18 72.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.603 0.716 . . . . 0.0 109.902 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.577 ' SD ' ' N ' ' A' ' 67' ' ' MET . 1.9 mpp? -65.87 -42.71 90.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.21 -0.931 . . . . 0.0 109.854 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.01 -39.84 90.62 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 109.841 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -58.56 -41.32 85.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.313 -0.867 . . . . 0.0 108.738 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -62.15 -43.57 98.54 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.286 -0.884 . . . . 0.0 108.85 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -160.45 86.41 0.74 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.391 -0.818 . . . . 0.0 109.67 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.61 102.77 0.93 Allowed Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.986 -1.245 . . . . 0.0 109.986 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -70.52 -97.94 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.594 -0.945 . . . . 0.0 110.685 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.639 ' H ' ' CD ' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -107.0 -40.42 0.15 Allowed Pre-proline 0 N--CA 1.499 1.995 0 O-C-N 121.586 -0.696 . . . . 0.0 110.486 -179.274 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.639 ' CD ' ' H ' ' A' ' 74' ' ' ASP . 74.4 Cg_endo -83.73 139.89 8.98 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 C-N-CA 122.54 2.16 . . . . 0.0 112.976 -177.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -94.29 -170.22 2.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.483 -0.761 . . . . 0.0 110.193 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -48.79 -87.73 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.524 0.678 . . . . 0.0 110.892 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -74.13 128.89 36.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.355 -0.841 . . . . 0.0 110.214 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.759 ' H ' HH12 ' A' ' 60' ' ' ARG . 21.9 p -84.24 166.74 17.26 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.751 0.786 . . . . 0.0 110.177 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.6 mm -93.74 122.69 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-O 122.05 0.928 . . . . 0.0 110.159 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t 41.4 -160.71 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.868 0.842 . . . . 0.0 110.935 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.589 ' NH1' ' SG ' ' A' ' 53' ' ' CYS . 25.6 mmm180 -70.65 148.29 48.23 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.713 0.768 . . . . 0.0 110.06 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 82' ' ' ARG . 89.4 mtm-85 58.36 133.33 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.087 0.946 . . . . 0.0 110.645 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.45 -177.17 1.11 Allowed Glycine 0 N--CA 1.486 1.976 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.08 147.78 51.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.709 -0.877 . . . . 0.0 110.558 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -71.32 145.35 49.53 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.888 0.851 . . . . 0.0 110.649 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.7 mt -81.42 130.46 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 CA-C-O 121.842 0.829 . . . . 0.0 110.119 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 85.1 p -74.11 160.92 30.56 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.748 0.785 . . . . 0.0 110.6 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.093 -179.876 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.613 HD11 ' CD1' ' A' ' 55' ' ' TRP . 4.0 mt . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.19 154.03 36.39 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.47 2.113 . . . . 0.0 113.012 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -60.2 -39.1 85.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.552 -0.717 . . . . 0.0 109.739 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.72 -44.33 97.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.066 -1.021 . . . . 0.0 109.564 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -67.78 -37.9 82.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.259 -0.901 . . . . 0.0 109.566 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.28 -42.81 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.441 -0.787 . . . . 0.0 109.18 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.674 HE22 HH21 ' A' ' 21' ' ' ARG . 69.9 tp60 -60.88 -49.76 76.16 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.224 -0.922 . . . . 0.0 109.666 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.52 -45.02 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.252 -0.905 . . . . 0.0 109.761 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.81 -42.53 94.93 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.781 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.674 HH21 HE22 ' A' ' 18' ' ' GLN . 62.1 ttp180 -66.58 -39.92 88.69 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.523 -0.736 . . . . 0.0 109.398 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -58.94 -44.25 91.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.387 -0.821 . . . . 0.0 109.379 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.526 ' CG ' HD21 ' A' ' 41' ' ' LEU . 75.2 t-105 -62.42 -47.12 85.48 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.346 -0.847 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.87 -43.31 96.46 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.427 -0.796 . . . . 0.0 109.464 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -61.19 -42.84 99.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.514 -0.741 . . . . 0.0 109.549 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.62 -33.66 69.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.443 -0.785 . . . . 0.0 109.892 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -118.9 57.83 0.86 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.429 0.633 . . . . 0.0 109.793 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -68.32 -37.94 81.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.566 -0.709 . . . . 0.0 109.502 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.517 ' C ' ' H ' ' A' ' 31' ' ' ALA . 36.0 m-85 -63.23 -72.09 0.15 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.531 -0.731 . . . . 0.0 110.189 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -71.78 33.68 0.06 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.506 -0.746 . . . . 0.0 109.75 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 29' ' ' TYR . . . -75.36 -7.59 54.4 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -52.85 153.44 5.93 Favored Pre-proline 0 C--N 1.305 -1.365 0 O-C-N 121.372 -0.83 . . . . 0.0 109.875 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.57 130.05 21.27 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.053 1.835 . . . . 0.0 112.85 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 p -156.62 141.49 17.06 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.511 -0.743 . . . . 0.0 109.402 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.98 -35.06 74.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.51 -0.744 . . . . 0.0 109.685 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.512 ' H ' ' CD ' ' A' ' 36' ' ' GLN . 28.1 mp0 -61.82 -43.33 99.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.357 -0.839 . . . . 0.0 109.697 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -68.1 -45.29 74.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.267 -0.895 . . . . 0.0 109.595 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -63.51 -42.79 98.47 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.395 -0.816 . . . . 0.0 109.674 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.99 -42.97 79.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.321 -0.862 . . . . 0.0 109.885 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.03 -46.34 84.87 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.258 -0.901 . . . . 0.0 109.965 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.526 HD21 ' CG ' ' A' ' 23' ' ' TRP . 98.2 mt -65.38 -39.56 92.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.455 -0.778 . . . . 0.0 109.447 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 t -59.72 -44.73 93.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.471 -0.768 . . . . 0.0 109.875 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.36 -40.07 85.76 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.178 -0.951 . . . . 0.0 109.435 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.33 -42.49 88.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.875 . . . . 0.0 109.925 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 p -91.4 167.66 12.11 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.188 -0.945 . . . . 0.0 109.91 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -97.16 16.04 20.93 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.44 159.42 14.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.427 -0.796 . . . . 0.0 110.081 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 p -75.55 167.16 22.42 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.721 0.772 . . . . 0.0 110.423 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.9 m -61.9 -42.65 99.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.601 -0.687 . . . . 0.0 109.702 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 50' ' ' LEU . 4.0 mm? -62.17 -42.81 99.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 0.0 109.83 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -64.61 -46.78 81.17 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.232 -0.918 . . . . 0.0 109.621 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.16 -43.46 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.321 -0.862 . . . . 0.0 109.715 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.9 t -62.34 -50.16 72.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 0.0 109.843 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -64.12 -41.95 97.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 0.0 109.154 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.613 ' CD1' HD11 ' A' ' 12' ' ' LEU . 75.4 t90 -65.49 -39.67 92.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.544 -0.723 . . . . 0.0 109.094 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.63 -44.26 97.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.419 -0.801 . . . . 0.0 109.517 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.49 -44.65 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 0.0 109.643 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.574 ' ND2' ' CZ ' ' A' ' 62' ' ' ARG . 66.6 t30 -74.43 -51.68 14.22 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.359 -0.838 . . . . 0.0 110.09 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB2' ' CE2' ' A' ' 55' ' ' TRP . . . -58.59 -48.09 82.12 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.373 -0.829 . . . . 0.0 109.67 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -61.68 -43.34 99.05 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.44 -0.788 . . . . 0.0 109.478 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -65.66 -17.13 64.38 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.853 . . . . 0.0 110.26 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.574 ' CZ ' ' ND2' ' A' ' 58' ' ' ASN . 90.6 mtm180 -108.72 -17.61 13.91 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.393 -0.817 . . . . 0.0 110.371 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.5 mt -95.98 -44.23 7.45 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.126 -0.984 . . . . 0.0 110.984 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.501 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.1 tp -56.91 -45.69 99.93 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.156 -0.965 . . . . 0.0 111.054 -178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 32.4 Cg_exo . . . . . 0 C--N 1.306 -1.702 0 C-N-CA 121.432 1.421 . . . . 0.0 111.766 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 121.105 0.479 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' HG23 ' A' ' 17' ' ' VAL . 69.4 Cg_exo -50.37 146.03 19.86 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.502 2.135 . . . . 0.0 113.278 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.71 -43.2 94.22 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.435 0.636 . . . . 0.0 109.522 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.29 -45.91 91.15 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.124 -0.985 . . . . 0.0 109.612 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.4 p -69.1 -39.8 78.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.259 -0.901 . . . . 0.0 109.806 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 13' ' ' PRO . 49.9 t -65.16 -43.65 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.403 -0.811 . . . . 0.0 109.484 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -62.32 -43.34 99.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.44 -0.787 . . . . 0.0 109.713 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.89 -46.15 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.205 -0.934 . . . . 0.0 109.405 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.71 -41.88 87.26 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.382 -0.824 . . . . 0.0 109.39 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -64.59 -41.55 96.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.484 -0.76 . . . . 0.0 109.195 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.02 -40.42 95.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.412 -0.805 . . . . 0.0 109.145 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.571 ' CE3' HD21 ' A' ' 41' ' ' LEU . 45.4 t-105 -59.81 -47.82 84.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.909 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.83 -42.7 97.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.405 -0.809 . . . . 0.0 109.86 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -63.47 -39.1 93.55 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.297 -0.877 . . . . 0.0 109.433 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -65.48 -38.51 89.98 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.384 -0.822 . . . . 0.0 109.604 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -127.1 70.21 1.29 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.314 -0.866 . . . . 0.0 109.043 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -67.16 -39.21 86.47 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.573 -0.704 . . . . 0.0 109.596 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.412 ' C ' ' H ' ' A' ' 31' ' ' ALA . 71.5 m-85 -66.51 -34.0 76.95 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.363 -0.836 . . . . 0.0 109.75 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' A' ' 32' ' ' TYR . 62.3 t-20 -72.03 47.21 0.15 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 108.795 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 29' ' ' TYR . . . -72.08 36.98 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.588 0.709 . . . . 0.0 109.445 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.498 ' H ' ' C ' ' A' ' 30' ' ' ASN . 24.2 m-85 -136.91 76.3 46.63 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -58.67 146.47 91.8 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 123.183 2.589 . . . . 0.0 112.306 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.8 m -125.45 157.34 37.18 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.802 0.81 . . . . 0.0 110.024 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -52.26 -40.17 61.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.645 -0.659 . . . . 0.0 109.487 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -66.17 -40.57 90.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.392 -0.817 . . . . 0.0 109.087 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.484 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 79.7 tt0 -68.89 -40.65 79.08 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.387 -0.821 . . . . 0.0 109.688 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.52 -41.54 98.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.289 -0.882 . . . . 0.0 109.707 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.21 83.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.152 -0.968 . . . . 0.0 109.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -62.5 -48.38 79.8 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.905 . . . . 0.0 109.587 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.571 HD21 ' CE3' ' A' ' 23' ' ' TRP . 81.9 mt -68.2 -40.18 82.23 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.471 -0.768 . . . . 0.0 110.253 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' THR . 11.4 t -62.16 -41.21 98.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.345 -0.847 . . . . 0.0 109.739 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -64.06 -41.01 97.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 0.0 109.437 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -65.58 -42.83 91.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -0.878 . . . . 0.0 109.933 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' SER . 80.5 p -98.18 177.98 5.22 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 0.0 109.898 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -99.56 36.61 1.74 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.66 -0.65 . . . . 0.0 109.539 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -115.23 149.07 38.32 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.83 0.824 . . . . 0.0 110.008 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -80.71 173.46 12.59 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.845 0.831 . . . . 0.0 110.523 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -62.49 -44.0 97.45 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 121.598 0.713 . . . . 0.0 109.878 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.94 -42.48 99.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.913 . . . . 0.0 109.713 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -64.26 -44.88 90.4 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.364 -0.835 . . . . 0.0 109.632 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.37 -43.75 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.433 -0.792 . . . . 0.0 109.827 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.3 t -60.89 -42.65 98.4 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.2 -0.938 . . . . 0.0 109.548 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -64.81 -40.38 95.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.414 -0.804 . . . . 0.0 109.396 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.63 -40.46 97.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.525 -0.735 . . . . 0.0 109.569 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -61.52 -46.62 89.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.188 -0.945 . . . . 0.0 110.135 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.57 -48.82 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.26 -0.9 . . . . 0.0 110.499 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -75.15 -44.04 49.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.237 -0.915 . . . . 0.0 110.604 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.68 -51.75 38.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.319 -0.863 . . . . 0.0 111.151 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -60.99 -44.92 96.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.259 -0.901 . . . . 0.0 109.941 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -65.92 -35.79 81.59 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.307 -0.87 . . . . 0.0 110.01 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -87.02 -13.22 45.04 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.175 -0.953 . . . . 0.0 110.222 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.8 mt -98.77 -32.58 11.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.125 -0.984 . . . . 0.0 110.293 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -58.3 -48.47 96.94 Favored Pre-proline 0 C--N 1.297 -1.698 0 O-C-N 121.13 -0.981 . . . . 0.0 110.515 -179.294 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 37.7 Cg_exo . . . . . 0 C--N 1.306 -1.703 0 C-N-CA 121.601 1.534 . . . . 0.0 111.897 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.86 150.6 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.467 2.111 . . . . 0.0 113.246 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.15 -41.58 97.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.586 -0.696 . . . . 0.0 109.675 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.74 -48.74 78.77 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.141 -0.975 . . . . 0.0 109.396 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.1 m -62.2 -42.94 99.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.312 -0.868 . . . . 0.0 109.414 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.4 t -64.17 -44.04 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.832 . . . . 0.0 109.661 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.17 -46.03 90.76 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.29 -0.881 . . . . 0.0 110.013 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.21 -46.79 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.051 -1.031 . . . . 0.0 109.641 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.38 -41.48 89.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.4 -0.813 . . . . 0.0 109.657 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -62.66 -40.56 97.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.835 . . . . 0.0 109.343 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.2 -46.76 87.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.235 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.443 ' CD1' HD21 ' A' ' 41' ' ' LEU . 59.9 t-105 -61.4 -47.07 87.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.9 . . . . 0.0 109.157 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' ARG . 56.7 tp -63.2 -41.65 99.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.36 -0.837 . . . . 0.0 109.209 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -59.69 -47.3 86.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.455 -0.778 . . . . 0.0 109.514 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.89 -37.92 85.3 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.167 -0.958 . . . . 0.0 109.508 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -102.01 23.71 11.12 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.424 -0.798 . . . . 0.0 109.304 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 24' ' ' LEU . 39.4 ptt180 -50.58 -25.04 3.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 108.966 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -76.39 -97.38 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.484 -0.76 . . . . 0.0 109.63 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.16 113.01 19.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.834 . . . . 0.0 110.187 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.62 83.55 0.97 Allowed 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 3.1 p90 -97.57 151.88 37.87 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.29 -0.881 . . . . 0.0 109.649 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.42 125.58 14.17 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.185 1.923 . . . . 0.0 111.848 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.0 p -158.99 162.12 36.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.263 -0.898 . . . . 0.0 109.681 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -65.35 -35.92 82.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.276 -0.89 . . . . 0.0 109.471 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.54 -45.97 88.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.922 . . . . 0.0 109.779 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -68.04 -43.67 78.18 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.05 -1.031 . . . . 0.0 109.473 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.463 ' CE ' ' SG ' ' A' ' 53' ' ' CYS . 63.4 mttp -63.25 -42.23 99.14 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.177 -0.952 . . . . 0.0 109.347 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.2 98.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.346 -0.846 . . . . 0.0 110.03 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 40' ' ' LEU . 3.2 tt -63.05 -44.84 94.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.077 -1.014 . . . . 0.0 109.193 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 23' ' ' TRP . 92.9 mt -64.05 -40.52 96.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.679 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -59.81 -42.8 94.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 109.241 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.24 -40.45 97.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.905 . . . . 0.0 109.485 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.95 -41.14 91.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.099 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.2 p -106.82 -164.44 0.99 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.432 -0.793 . . . . 0.0 109.908 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -129.16 37.9 3.98 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.6 mt -111.28 150.98 28.86 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.554 -0.716 . . . . 0.0 109.86 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.4 p -72.73 167.91 19.85 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.548 0.689 . . . . 0.0 110.22 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.9 p -64.62 -32.38 74.01 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.485 -0.759 . . . . 0.0 109.797 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.83 -45.1 95.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.172 -0.955 . . . . 0.0 109.447 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -68.2 -41.54 81.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 0.0 109.863 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.4 t -64.13 -43.84 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.457 -0.777 . . . . 0.0 110.105 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.463 ' SG ' ' CE ' ' A' ' 38' ' ' LYS . 79.1 m -61.18 -52.08 66.34 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.135 -0.978 . . . . 0.0 110.042 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -64.78 -42.68 94.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.141 -0.974 . . . . 0.0 109.888 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -67.12 -41.42 86.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.0 110.145 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.07 -46.71 89.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.158 -0.964 . . . . 0.0 110.027 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.02 -45.11 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 109.894 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -72.32 -48.01 45.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.289 -0.882 . . . . 0.0 110.25 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.54 92.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.353 -0.842 . . . . 0.0 109.62 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -64.96 -42.13 94.87 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -0.871 . . . . 0.0 109.377 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -66.5 -19.06 65.69 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.182 -0.949 . . . . 0.0 109.852 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -105.6 -22.67 12.93 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.229 -0.919 . . . . 0.0 110.5 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.21 -28.07 12.13 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.133 -0.979 . . . . 0.0 110.806 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 6.0 tp -70.12 -36.31 6.03 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.02 -1.05 . . . . 0.0 110.982 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 36.1 Cg_exo . . . . . 0 N--CA 1.492 1.417 0 C-N-CA 121.525 1.483 . . . . 0.0 111.443 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD11 ' CD1' ' A' ' 55' ' ' TRP . 10.3 mt . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' O ' HG23 ' A' ' 17' ' ' VAL . 81.1 Cg_exo -44.05 162.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.482 2.121 . . . . 0.0 113.191 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -61.22 -41.98 97.8 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.615 -0.678 . . . . 0.0 110.033 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.12 -48.24 82.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.154 -0.966 . . . . 0.0 110.231 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -65.38 -41.28 93.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.143 -0.973 . . . . 0.0 109.639 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 13' ' ' PRO . 56.0 t -62.35 -44.55 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.385 -0.822 . . . . 0.0 109.205 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -62.92 -47.91 81.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.961 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.93 -47.04 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.038 -1.039 . . . . 0.0 109.866 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.53 -42.92 91.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.238 -0.914 . . . . 0.0 109.611 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -66.03 -38.87 89.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.489 -0.757 . . . . 0.0 109.479 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.5 -46.34 70.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.474 -0.766 . . . . 0.0 109.428 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.435 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 14.3 m95 -51.92 -55.55 19.51 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 0.0 109.894 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 24' ' ' LEU . 10.1 mp -62.95 -38.42 91.01 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.535 -0.728 . . . . 0.0 109.444 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.647 ' CD2' ' NH2' ' A' ' 28' ' ' ARG . 30.5 t80 -58.4 -42.04 86.24 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.302 -0.874 . . . . 0.0 109.161 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.91 -43.62 94.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 109.482 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -143.73 81.24 1.69 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.922 . . . . 0.0 109.019 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.647 ' NH2' ' CD2' ' A' ' 25' ' ' TYR . 83.3 mtt85 -61.42 -40.96 96.33 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.391 -0.818 . . . . 0.0 109.613 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -75.7 -77.18 0.13 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.506 -0.746 . . . . 0.0 110.207 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.74 62.62 0.27 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.369 -0.832 . . . . 0.0 109.781 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.4 -107.1 0.11 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.444 -0.785 . . . . 0.0 109.653 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CE2' ' NH1' ' A' ' 60' ' ' ARG . 25.7 m-85 41.64 68.75 2.4 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.711 -0.618 . . . . 0.0 110.187 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -59.82 144.24 99.48 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.637 2.225 . . . . 0.0 112.359 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 m -76.41 175.4 9.19 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.885 0.85 . . . . 0.0 110.527 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -58.93 -27.57 65.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.67 -0.643 . . . . 0.0 109.456 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.8 -41.78 97.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.314 -0.866 . . . . 0.0 109.79 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 55.4 mp0 -70.97 -38.12 72.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.848 . . . . 0.0 109.715 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.57 -45.43 94.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.103 -0.998 . . . . 0.0 109.764 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.71 -37.56 76.62 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.238 -0.914 . . . . 0.0 109.268 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.53 -44.93 92.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.382 -0.824 . . . . 0.0 109.597 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.45 -41.39 96.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.365 -0.834 . . . . 0.0 109.01 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -63.23 -35.68 81.14 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -71.18 -43.72 66.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.457 -0.777 . . . . 0.0 109.337 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.51 -43.52 85.06 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.354 -0.842 . . . . 0.0 109.803 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.6 p -95.14 168.86 10.49 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.258 -0.901 . . . . 0.0 109.682 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -93.15 10.42 31.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.614 -0.679 . . . . 0.0 109.4 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -90.69 155.28 18.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.248 -0.908 . . . . 0.0 109.982 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.6 p -76.6 165.93 24.1 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.908 0.861 . . . . 0.0 110.729 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 78.8 m -63.27 -42.4 99.12 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.492 0.663 . . . . 0.0 109.636 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.57 -42.04 95.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.201 -0.937 . . . . 0.0 109.454 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -63.15 -39.17 93.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 0.0 109.298 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.72 -44.08 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.893 . . . . 0.0 109.337 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -44.96 94.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.0 109.682 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -64.03 -41.52 97.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.384 -0.822 . . . . 0.0 109.261 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.513 ' CD1' HD11 ' A' ' 12' ' ' LEU . 72.1 t90 -66.41 -38.45 87.49 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.617 0.722 . . . . 0.0 109.257 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -60.71 -46.29 90.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.402 -0.811 . . . . 0.0 109.96 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.72 -49.59 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.271 -0.893 . . . . 0.0 110.125 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.646 HD21 ' NH2' ' A' ' 62' ' ' ARG . 27.0 t-20 -69.0 -42.24 76.73 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.305 -0.872 . . . . 0.0 110.253 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.488 ' CB ' ' CZ3' ' A' ' 55' ' ' TRP . . . -67.05 -39.18 86.88 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.432 -0.792 . . . . 0.0 110.181 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.603 ' NH1' ' CE2' ' A' ' 32' ' ' TYR . 62.5 ttp180 -64.68 -43.81 92.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 109.837 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -80.95 -10.35 59.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.481 -0.762 . . . . 0.0 110.249 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.646 ' NH2' HD21 ' A' ' 58' ' ' ASN . 44.9 ttm180 -103.65 -26.34 12.82 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.249 -0.907 . . . . 0.0 109.954 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.3 mt -87.19 -48.28 8.17 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.085 -1.009 . . . . 0.0 111.218 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.409 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.2 mp -49.21 -50.82 61.75 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.152 -0.967 . . . . 0.0 111.322 -178.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 32.3 Cg_exo . . . . . 0 C--N 1.303 -1.816 0 C-N-CA 121.534 1.49 . . . . 0.0 111.902 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.6 mt . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -43.57 146.43 1.34 Allowed 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.044 1.83 . . . . 0.0 112.69 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.95 -38.8 89.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.492 -0.755 . . . . 0.0 109.838 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -58.23 -48.17 81.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.248 -0.907 . . . . 0.0 109.838 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -65.45 -40.06 92.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 109.45 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.4 t -66.32 -42.4 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.485 -0.759 . . . . 0.0 109.645 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -56.68 -43.78 80.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.869 . . . . 0.0 109.748 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.55 -44.7 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.144 -0.973 . . . . 0.0 109.453 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.83 -42.24 90.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.365 -0.834 . . . . 0.0 109.96 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -65.72 -41.49 92.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 109.868 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -60.29 -36.13 77.16 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.345 -0.847 . . . . 0.0 109.399 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.529 ' CE2' ' OE2' ' A' ' 37' ' ' GLU . 49.7 t90 -60.51 -45.31 94.29 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.411 -0.806 . . . . 0.0 109.61 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ARG . 6.5 mp -65.3 -45.02 86.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 0.0 110.097 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -64.33 -44.94 89.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 109.415 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.91 -32.11 70.25 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.542 -0.724 . . . . 0.0 109.766 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -134.43 58.33 1.77 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.565 -0.709 . . . . 0.0 109.503 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 24' ' ' LEU . 37.7 ptt-85 -68.05 -41.3 82.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 109.207 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -70.15 -43.45 70.87 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.425 -0.797 . . . . 0.0 109.534 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -91.01 42.46 1.1 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.427 -0.796 . . . . 0.0 108.876 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' CB ' HH12 ' A' ' 60' ' ' ARG . . . -91.67 78.79 5.48 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.435 -0.791 . . . . 0.0 108.981 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 21.2 p90 -112.95 96.77 39.54 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.407 -0.808 . . . . 0.0 108.82 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -52.51 136.94 57.63 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.11 1.873 . . . . 0.0 112.65 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 p -159.13 163.89 35.72 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.413 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -68.12 -37.03 80.68 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.439 -0.788 . . . . 0.0 109.429 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 37' ' ' GLU . 16.9 pt20 -65.27 -42.12 93.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.244 -0.91 . . . . 0.0 109.638 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.529 ' OE2' ' CE2' ' A' ' 23' ' ' TRP . 47.0 tp10 -69.95 -47.16 63.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.48 -0.762 . . . . 0.0 109.629 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.35 -38.6 91.61 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.477 -0.764 . . . . 0.0 109.513 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.7 82.63 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.303 -0.873 . . . . 0.0 109.331 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.45 -43.56 97.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.297 -0.877 . . . . 0.0 109.29 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.0 -41.11 97.59 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.553 -0.717 . . . . 0.0 109.455 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 m -60.72 -37.04 80.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.381 -0.824 . . . . 0.0 109.674 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -65.04 -40.41 94.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.112 -0.993 . . . . 0.0 109.691 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -63.94 -40.58 96.78 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.406 -0.809 . . . . 0.0 110.081 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.6 p -100.09 169.9 8.85 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.351 -0.843 . . . . 0.0 109.781 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -99.54 31.7 3.07 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.8 mt -108.86 153.77 23.05 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.552 -0.717 . . . . 0.0 109.321 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.6 p -76.45 167.0 22.62 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.755 0.788 . . . . 0.0 111.214 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -62.41 -40.42 96.48 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.378 0.608 . . . . 0.0 109.788 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.35 -42.51 91.69 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.21 -0.931 . . . . 0.0 109.569 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -65.2 -41.99 93.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.17 -0.956 . . . . 0.0 109.863 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.35 -44.33 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 0.0 109.824 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.0 t -59.37 -43.04 92.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.162 -0.962 . . . . 0.0 109.843 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -64.03 -40.59 96.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.272 -0.893 . . . . 0.0 109.642 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -62.29 -41.59 98.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 0.0 109.972 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -62.82 -43.06 99.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.164 -0.96 . . . . 0.0 109.876 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.0 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.181 -0.949 . . . . 0.0 110.096 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -77.89 -49.95 13.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.03 -1.044 . . . . 0.0 110.341 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.51 86.76 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.496 -0.753 . . . . 0.0 110.231 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.517 HH12 ' CB ' ' A' ' 31' ' ' ALA . 64.5 ttm-85 -63.16 -42.45 99.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.157 -0.965 . . . . 0.0 109.748 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 tpt85 -65.42 -16.67 63.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.447 -0.783 . . . . 0.0 110.417 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -114.1 -6.63 13.08 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.301 -0.875 . . . . 0.0 110.182 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.9 mt -113.75 -61.98 1.66 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.158 -0.964 . . . . 0.0 111.013 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD23 ' HG3' ' A' ' 60' ' ' ARG . 1.2 mm? -43.68 -53.99 11.3 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.359 -0.838 . . . . 0.0 110.746 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.309 -1.508 0 C-N-CA 121.417 1.411 . . . . 0.0 111.804 -179.81 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.495 HD22 HD13 ' A' ' 47' ' ' LEU . 25.6 mt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . 49.1 Cg_endo -67.06 165.65 25.67 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.608 2.205 . . . . 0.0 112.744 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -59.55 -38.9 82.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.744 -0.598 . . . . 0.0 109.581 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -58.07 -54.52 45.97 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 109.466 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -62.89 -41.54 99.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 13' ' ' PRO . 71.8 t -63.93 -43.29 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.438 -0.788 . . . . 0.0 109.938 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -57.19 -46.38 82.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.088 -1.007 . . . . 0.0 109.82 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.67 -45.32 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.988 . . . . 0.0 109.773 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.45 -40.45 93.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.377 -0.827 . . . . 0.0 109.457 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.39 -42.98 97.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.366 -0.834 . . . . 0.0 109.559 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -59.06 -48.15 82.64 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.246 -0.909 . . . . 0.0 109.252 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -64.59 -41.33 96.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.359 -0.838 . . . . 0.0 109.657 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.09 -43.28 99.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.2 -0.937 . . . . 0.0 109.739 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.22 -44.83 96.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.885 . . . . 0.0 109.539 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.44 -37.82 83.59 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.299 -0.875 . . . . 0.0 109.812 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -100.02 24.23 8.83 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.355 -0.841 . . . . 0.0 109.155 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.07 -45.96 92.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.337 -0.852 . . . . 0.0 109.393 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -78.37 -34.2 48.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.47 -0.769 . . . . 0.0 109.687 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 31' ' ' ALA . 11.8 m120 -94.59 20.2 8.82 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.426 -0.796 . . . . 0.0 109.243 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . -37.31 114.84 0.35 Allowed 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 121.346 0.594 . . . . 0.0 110.506 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.552 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 1.1 p90 -160.63 46.7 0.21 Allowed Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.353 -0.842 . . . . 0.0 109.599 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 32' ' ' TYR . 21.4 Cg_endo -60.27 82.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.266 1.978 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 p -89.64 -170.88 2.99 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.681 0.753 . . . . 0.0 110.451 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -58.39 -42.84 87.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.721 -0.612 . . . . 0.0 109.897 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -69.78 -41.63 74.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.157 -0.965 . . . . 0.0 110.086 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -65.51 -43.58 89.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.312 -0.867 . . . . 0.0 109.775 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.591 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 86.3 mttt -63.1 -40.74 98.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.289 -0.882 . . . . 0.0 109.726 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.3 97.19 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.042 -1.036 . . . . 0.0 109.605 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 40' ' ' LEU . 3.7 tt -63.0 -48.54 78.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.261 -0.899 . . . . 0.0 109.349 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.2 -41.28 94.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.667 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' HIS . 67.4 m -59.97 -41.96 93.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.325 -0.859 . . . . 0.0 109.645 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -65.04 -39.37 93.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 0.0 109.694 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.01 -39.82 94.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.8 p -93.32 -6.47 47.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.279 -0.888 . . . . 0.0 108.787 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 42' ' ' SER . 54.5 t-80 59.47 20.97 9.38 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.495 HD13 HD22 ' A' ' 12' ' ' LEU . 93.3 mt -94.73 164.39 12.96 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.292 -0.88 . . . . 0.0 109.744 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -75.86 154.63 35.97 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.47 -0.769 . . . . 0.0 110.157 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 m -62.09 -41.03 97.77 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.494 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -60.63 -42.96 97.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.388 -0.82 . . . . 0.0 108.982 -178.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.04 -40.94 99.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.83 -43.92 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 0.0 109.63 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.591 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 1.1 t -55.99 -52.28 64.74 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.274 -0.891 . . . . 0.0 109.959 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.425 ' ND2' ' CD1' ' A' ' 50' ' ' LEU . 13.3 m-80 -63.44 -41.53 98.66 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.848 . . . . 0.0 109.473 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.65 -41.83 95.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.94 -43.22 98.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.888 . . . . 0.0 110.025 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.31 -49.99 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.166 -0.959 . . . . 0.0 110.311 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.629 ' ND2' ' N ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -77.62 -40.92 40.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.979 -1.076 . . . . 0.0 109.795 -179.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.629 ' N ' ' ND2' ' A' ' 58' ' ' ASN . . . -59.26 -48.16 82.67 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.33 -0.857 . . . . 0.0 109.495 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -62.7 -44.62 95.77 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.275 -0.891 . . . . 0.0 109.806 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -68.19 -10.17 52.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 0.0 109.973 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -108.17 -26.63 10.5 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.435 -0.79 . . . . 0.0 110.223 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' LEU . 94.8 mt -96.72 -62.76 1.22 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.114 -0.991 . . . . 0.0 111.349 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -39.78 -59.51 1.69 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.626 -0.671 . . . . 0.0 111.517 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo . . . . . 0 C--N 1.314 -1.281 0 C-N-CA 121.823 1.682 . . . . 0.0 112.562 -179.332 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.76 151.44 19.61 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 C-N-CA 122.582 2.188 . . . . 0.0 113.299 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.21 -37.3 79.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.787 -0.57 . . . . 0.0 109.537 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.82 -51.21 70.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.297 -0.877 . . . . 0.0 109.772 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.8 m -63.23 -42.83 99.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.87 . . . . 0.0 109.7 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.5 t -64.76 -42.33 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.629 -0.669 . . . . 0.0 109.616 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -55.65 -47.2 77.07 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.917 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.1 -44.81 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.234 -0.916 . . . . 0.0 109.863 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.57 -42.56 95.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.421 -0.799 . . . . 0.0 109.94 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -66.69 -41.59 87.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.369 -0.832 . . . . 0.0 109.435 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.12 -47.48 85.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 0.0 109.745 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.62 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 70.6 t-105 -64.03 -47.62 79.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.41 -0.806 . . . . 0.0 109.815 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.62 -40.38 95.38 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.347 -0.846 . . . . 0.0 109.72 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.471 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 86.9 t80 -58.91 -43.77 91.15 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.429 -0.794 . . . . 0.0 109.887 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.38 -37.14 82.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.191 -0.943 . . . . 0.0 109.683 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.62 ' CE1' ' CE2' ' A' ' 23' ' ' TRP . 46.6 m80 -81.04 -69.38 0.61 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.325 -0.859 . . . . 0.0 109.985 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' NE ' ' O ' ' A' ' 25' ' ' TYR . 83.5 mtm180 54.97 -76.61 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.596 -0.69 . . . . 0.0 110.627 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.578 ' N ' ' O ' ' A' ' 27' ' ' HIS . 98.2 m-85 -59.86 -43.93 94.4 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.195 -0.941 . . . . 0.0 110.081 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ALA . 98.8 m-20 -83.46 -106.09 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 0.0 110.083 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . 41.39 45.78 2.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.687 -0.633 . . . . 0.0 109.447 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -90.7 146.33 33.9 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.461 -0.775 . . . . 0.0 109.417 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -37.21 108.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.659 2.239 . . . . 0.0 112.822 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.5 p -151.73 140.15 20.52 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 109.635 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.12 -34.98 75.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.458 -0.776 . . . . 0.0 109.442 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -62.29 -42.38 99.3 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.477 -0.764 . . . . 0.0 109.657 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.22 -44.25 79.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.357 -0.839 . . . . 0.0 109.731 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.557 ' CE ' ' SG ' ' A' ' 53' ' ' CYS . 54.7 mtpt -64.56 -40.54 95.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.476 -0.765 . . . . 0.0 109.555 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.59 95.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.432 -0.792 . . . . 0.0 109.904 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 40' ' ' LEU . 1.5 tt -63.46 -55.85 20.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 109.588 -179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.0 mp -64.08 -41.5 97.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.428 -0.795 . . . . 0.0 110.138 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -60.31 -43.62 96.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.223 -0.923 . . . . 0.0 109.44 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -75.82 -34.31 60.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.282 -0.886 . . . . 0.0 109.458 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.02 -40.31 94.67 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.396 -0.815 . . . . 0.0 109.491 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.6 p -98.96 165.41 11.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.349 -0.844 . . . . 0.0 109.408 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 46' ' ' HIS . 86.4 t60 -89.96 26.19 1.9 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.625 -0.672 . . . . 0.0 109.406 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.0 mt -109.74 149.68 29.43 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.328 -0.857 . . . . 0.0 109.8 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.0 m -73.34 161.17 30.78 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.705 0.764 . . . . 0.0 110.388 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.466 ' O ' ' SG ' ' A' ' 53' ' ' CYS . 10.7 m -61.72 -40.8 96.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.632 -0.668 . . . . 0.0 109.67 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 50' ' ' LEU . 4.5 tt -59.02 -45.39 90.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.167 -0.958 . . . . 0.0 109.495 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.19 -41.88 99.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 109.489 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.82 -41.86 91.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.355 -0.841 . . . . 0.0 109.528 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.557 ' SG ' ' CE ' ' A' ' 38' ' ' LYS . 75.2 m -53.46 -50.54 65.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 110.055 -179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASN . 6.4 m120 -63.62 -42.77 98.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.288 -0.882 . . . . 0.0 109.484 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.466 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 84.2 t90 -63.86 -40.53 96.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.55 -0.719 . . . . 0.0 109.726 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -62.13 -42.81 99.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.477 -0.764 . . . . 0.0 110.191 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.47 -48.02 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.334 -0.854 . . . . 0.0 110.274 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.659 HD22 ' N ' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -78.2 -41.17 35.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.186 -0.947 . . . . 0.0 109.801 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.659 ' N ' HD22 ' A' ' 58' ' ' ASN . . . -60.53 -48.21 82.77 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.442 -0.787 . . . . 0.0 110.124 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -65.54 -42.51 91.85 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.354 -0.841 . . . . 0.0 109.517 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -73.86 -4.59 35.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.554 -0.717 . . . . 0.0 109.951 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -118.05 -18.58 9.38 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.453 -0.78 . . . . 0.0 109.776 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.9 mt -102.31 -59.12 1.76 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.107 -0.996 . . . . 0.0 111.332 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mp -47.71 -51.7 43.77 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.284 -0.885 . . . . 0.0 111.171 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 C--N 1.31 -1.464 0 C-N-CA 121.42 1.413 . . . . 0.0 112.332 -178.498 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -48.69 151.63 5.01 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.146 1.897 . . . . 0.0 112.47 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -61.98 -40.51 95.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.609 -0.682 . . . . 0.0 109.636 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.07 -51.67 62.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.498 -0.751 . . . . 0.0 110.076 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -63.19 -42.17 99.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.449 -0.782 . . . . 0.0 110.11 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.04 -44.59 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.507 -0.746 . . . . 0.0 109.908 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -55.61 -44.63 77.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.46 -0.775 . . . . 0.0 109.964 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.58 -43.5 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.266 -0.896 . . . . 0.0 109.476 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.08 -41.29 97.37 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.446 -0.784 . . . . 0.0 109.935 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -62.72 -40.04 95.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.522 -0.736 . . . . 0.0 109.726 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.5 -41.72 98.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.359 -0.838 . . . . 0.0 109.697 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.625 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.8 t-105 -66.98 -41.25 87.12 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.643 0.735 . . . . 0.0 109.57 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -63.34 -43.2 98.4 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.618 0.723 . . . . 0.0 109.955 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.16 -42.62 99.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.447 -0.783 . . . . 0.0 109.878 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.14 -39.59 78.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.493 -0.754 . . . . 0.0 110.059 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.625 ' CD2' ' CE2' ' A' ' 23' ' ' TRP . 95.7 m-70 -95.2 27.96 3.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.362 -0.836 . . . . 0.0 109.121 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -67.78 -37.71 82.41 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.581 0.705 . . . . 0.0 109.637 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.64 -9.96 56.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.389 -0.819 . . . . 0.0 109.398 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 31' ' ' ALA . 96.4 m-20 -93.96 -58.89 2.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.45 -0.781 . . . . 0.0 109.162 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 40.99 96.45 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.784 0.802 . . . . 0.0 110.378 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 11.8 p90 -159.27 70.82 3.43 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.548 -0.72 . . . . 0.0 109.554 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.94 135.43 68.38 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.891 2.394 . . . . 0.0 112.516 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.6 m -163.03 173.75 13.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.537 -0.727 . . . . 0.0 110.179 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -63.22 -42.11 99.21 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.55 0.691 . . . . 0.0 109.432 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -68.27 -41.46 81.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.544 -0.723 . . . . 0.0 109.47 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -67.49 -49.19 64.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.382 -0.824 . . . . 0.0 109.815 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -65.85 -40.34 91.63 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.395 -0.816 . . . . 0.0 109.483 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.24 93.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.519 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 40' ' ' LEU . 3.4 tt -63.33 -46.55 86.09 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.925 0.869 . . . . 0.0 109.226 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.64 -40.21 95.06 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.446 -0.784 . . . . 0.0 109.557 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.1 p -62.11 -38.82 90.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.564 -0.71 . . . . 0.0 109.56 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -66.64 -39.55 88.31 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.648 0.737 . . . . 0.0 109.831 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.32 -43.89 93.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.355 -0.841 . . . . 0.0 110.053 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.9 p -99.51 169.23 9.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 110.136 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -95.93 31.44 2.12 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.1 mt -110.96 154.07 24.63 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.722 0.772 . . . . 0.0 109.846 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.8 p -75.81 166.37 23.63 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.866 0.841 . . . . 0.0 110.411 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.9 m -62.78 -42.94 99.92 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.746 0.784 . . . . 0.0 109.676 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.73 -42.06 98.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.567 -0.708 . . . . 0.0 110.087 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -64.15 -45.92 86.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.389 -0.819 . . . . 0.0 109.882 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.11 -43.11 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-O 121.534 0.683 . . . . 0.0 110.01 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 t -60.81 -44.75 96.46 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.367 -0.833 . . . . 0.0 110.515 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -63.98 -43.3 96.15 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.35 -0.844 . . . . 0.0 109.384 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -68.49 -38.36 80.92 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.801 0.81 . . . . 0.0 109.109 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -59.71 -44.45 93.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.595 -0.69 . . . . 0.0 109.883 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.29 -45.77 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.399 -0.813 . . . . 0.0 109.684 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -70.32 -46.34 64.4 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.345 -0.847 . . . . 0.0 109.907 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.51 87.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.51 -0.744 . . . . 0.0 110.036 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.4 ' O ' ' CB ' ' A' ' 64' ' ' LEU . 73.8 ttp85 -64.7 -43.86 92.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.497 -0.752 . . . . 0.0 109.847 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -70.22 -12.65 61.74 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.195 -0.94 . . . . 0.0 110.281 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -108.29 -23.57 11.86 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.37 -0.831 . . . . 0.0 109.866 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.6 mt -105.73 -26.62 11.72 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.167 -0.958 . . . . 0.0 110.647 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 6.4 tp -72.64 -35.21 2.94 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.207 -0.933 . . . . 0.0 111.482 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 21.7 Cg_exo . . . . . 0 N--CA 1.493 1.485 0 C-N-CA 121.767 1.645 . . . . 0.0 111.931 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.503 HD21 ' NE2' ' A' ' 51' ' ' GLN . 40.3 mt . . . . . 0 N--CA 1.485 1.317 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -65.67 160.84 41.5 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.458 2.105 . . . . 0.0 112.514 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.05 -35.58 75.44 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.343 -0.848 . . . . 0.0 109.454 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -62.27 -55.56 27.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 109.777 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -64.12 -41.98 97.04 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 109.629 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.5 -42.84 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 109.13 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -54.79 -43.34 72.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.247 -0.908 . . . . 0.0 109.478 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.04 -46.29 94.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.09 -1.006 . . . . 0.0 109.49 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.54 -41.89 88.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.306 -0.871 . . . . 0.0 110.045 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -63.72 -40.99 98.12 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.437 -0.79 . . . . 0.0 109.526 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.97 -48.19 82.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.811 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -63.84 -45.83 87.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.143 -0.973 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.68 -41.1 98.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 0.0 109.261 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.603 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 61.1 t80 -59.52 -45.01 92.97 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.377 -0.827 . . . . 0.0 109.55 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.26 -38.29 90.57 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.378 -0.826 . . . . 0.0 109.725 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -121.26 54.8 1.09 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.603 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 19.6 ptp180 -64.55 -40.29 95.31 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.491 -0.756 . . . . 0.0 109.473 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -72.23 -77.79 0.09 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.334 -0.854 . . . . 0.0 110.231 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -76.72 93.53 3.68 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.242 -0.911 . . . . 0.0 109.177 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' TYR . . . -89.12 -75.16 0.45 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.493 -0.755 . . . . 0.0 109.439 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' ALA . 72.7 m-85 39.08 75.26 0.58 Allowed Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.946 -0.471 . . . . 0.0 109.994 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -78.03 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.42 2.08 . . . . 0.0 111.599 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 p -79.94 169.56 17.72 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.38 -0.825 . . . . 0.0 110.749 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.41 -38.95 85.62 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.424 0.63 . . . . 0.0 109.734 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -71.81 -39.88 69.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.931 . . . . 0.0 109.913 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.5 -50.57 70.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.243 -0.911 . . . . 0.0 110.107 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -66.07 -31.19 71.92 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.217 -0.927 . . . . 0.0 109.431 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.49 89.86 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.302 -0.873 . . . . 0.0 109.379 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.88 -46.44 84.91 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 109.939 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.82 -36.57 82.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.286 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 46' ' ' HIS . 40.5 t -59.85 -42.64 94.06 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.368 -0.832 . . . . 0.0 109.392 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.21 -38.31 90.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.235 -0.915 . . . . 0.0 109.246 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -64.77 -40.34 95.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.309 -0.87 . . . . 0.0 109.653 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.2 p -95.49 -5.88 41.91 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.222 -0.924 . . . . 0.0 108.667 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' SER . 86.1 t60 57.02 22.84 7.71 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.691 -0.63 . . . . 0.0 109.687 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.5 mt -88.78 167.96 12.86 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.316 -0.865 . . . . 0.0 110.317 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 52' ' ' VAL . 15.8 p -76.0 154.4 35.8 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.418 -0.801 . . . . 0.0 110.613 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.9 m -62.89 -44.06 97.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.34 -0.85 . . . . 0.0 109.121 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.52 -42.93 99.84 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.398 -0.814 . . . . 0.0 109.648 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.503 ' NE2' HD21 ' A' ' 12' ' ' LEU . 64.9 tt0 -65.03 -40.96 95.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.404 -0.81 . . . . 0.0 109.847 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 48' ' ' SER . 62.2 t -64.3 -45.81 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.149 -0.969 . . . . 0.0 109.933 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.1 t -61.04 -48.63 80.88 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.222 -0.924 . . . . 0.0 110.054 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -63.4 -39.8 95.49 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.301 -0.874 . . . . 0.0 109.689 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -60.62 -40.08 90.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.847 . . . . 0.0 109.745 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.34 -45.69 93.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.168 -0.958 . . . . 0.0 109.793 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.87 -51.56 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.934 -1.104 . . . . 0.0 110.356 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -69.87 -42.12 73.91 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.101 -0.999 . . . . 0.0 110.2 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.24 92.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.261 -0.899 . . . . 0.0 109.778 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HG2' HD23 ' A' ' 64' ' ' LEU . 36.7 mtp180 -62.57 -45.87 90.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.243 -0.91 . . . . 0.0 109.898 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -62.99 -18.89 63.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.135 -0.978 . . . . 0.0 110.341 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -109.51 -9.77 14.9 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.457 -0.777 . . . . 0.0 110.186 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 64' ' ' LEU . 90.0 mt -114.09 -63.87 1.39 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.33 -0.856 . . . . 0.0 111.128 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.581 HD23 ' HG2' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -39.04 -55.04 3.06 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.712 -0.617 . . . . 0.0 111.042 -177.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--N 1.306 -1.698 0 C-N-CA 120.934 1.089 . . . . 0.0 111.437 179.718 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.556 HD11 ' CG ' ' A' ' 55' ' ' TRP . 3.8 mt . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -55.1 146.22 60.19 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.837 1.691 . . . . 0.0 112.39 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -49.67 -33.33 15.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.346 -0.846 . . . . 0.0 109.844 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -65.01 -48.37 74.14 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.293 -0.88 . . . . 0.0 109.94 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.7 p -70.24 -32.62 70.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.129 -0.982 . . . . 0.0 109.76 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.79 -44.35 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.104 -0.998 . . . . 0.0 109.175 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.34 -46.04 88.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.199 -0.938 . . . . 0.0 109.367 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.72 -47.58 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.293 -0.879 . . . . 0.0 109.805 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.408 HD23 HD23 ' A' ' 41' ' ' LEU . 79.1 mt -67.2 -42.25 84.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -0.865 . . . . 0.0 110.096 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.525 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 58.8 ttt85 -66.45 -42.2 87.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.352 -0.842 . . . . 0.0 109.687 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.5 -47.07 87.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.355 -0.841 . . . . 0.0 110.114 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.452 ' CD1' HD11 ' A' ' 41' ' ' LEU . 86.0 t90 -57.78 -43.16 85.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 109.709 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.28 -41.57 99.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.0 109.547 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.525 ' OH ' ' NH2' ' A' ' 21' ' ' ARG . 3.8 m-85 -62.03 -34.09 75.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.515 -0.741 . . . . 0.0 109.462 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.96 -37.43 81.56 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.328 -0.858 . . . . 0.0 110.169 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -125.45 66.37 1.15 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.501 -0.749 . . . . 0.0 109.426 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' ASN . 79.9 mtp85 -73.53 155.87 38.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.444 -0.785 . . . . 0.0 110.414 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.8 t80 67.19 -63.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.859 0 CA-C-O 121.272 0.558 . . . . 0.0 109.815 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ARG . 53.2 t30 -82.4 98.47 8.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.085 -1.009 . . . . 0.0 109.835 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.35 66.34 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.149 -0.969 . . . . 0.0 108.445 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -76.66 155.59 83.29 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 109.625 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.28 128.87 24.07 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.868 1.712 . . . . 0.0 112.558 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -157.62 142.03 16.3 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.266 -0.896 . . . . 0.0 109.714 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.8 -36.31 78.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.565 -0.709 . . . . 0.0 109.582 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' O ' ' OE1' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -62.82 -47.54 82.99 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.179 -0.951 . . . . 0.0 109.85 -179.416 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.576 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 36.0 mp0 -68.66 -48.07 64.93 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.246 -0.909 . . . . 0.0 109.88 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.16 -40.14 96.69 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.109 -0.995 . . . . 0.0 109.414 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.77 83.94 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.229 -0.919 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 40' ' ' LEU . 2.9 tt -62.59 -50.84 69.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -0.848 . . . . 0.0 109.65 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 23' ' ' TRP . 10.1 mp -64.76 -39.46 93.66 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.389 -0.819 . . . . 0.0 109.714 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 98.3 p -58.33 -37.78 75.81 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.251 -0.906 . . . . 0.0 109.395 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -68.53 -40.85 80.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.35 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -66.27 -46.16 77.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.375 -0.828 . . . . 0.0 109.804 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.5 p -91.25 168.82 11.32 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.316 -0.865 . . . . 0.0 109.216 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -99.27 12.33 36.54 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.431 HD13 ' NE2' ' A' ' 51' ' ' GLN . 82.5 mt -87.21 155.67 19.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 0.0 110.085 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 52' ' ' VAL . 92.4 p -75.73 160.79 29.66 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.823 0.82 . . . . 0.0 110.522 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 m -63.4 -42.9 98.79 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.0 109.363 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.6 tp -61.44 -44.44 97.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.306 -0.871 . . . . 0.0 109.492 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.431 ' NE2' HD13 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -66.1 -41.9 90.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.416 -0.803 . . . . 0.0 109.45 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 48' ' ' SER . 57.2 t -65.58 -43.04 94.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.638 -0.664 . . . . 0.0 109.354 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -56.87 -44.03 81.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.327 -0.858 . . . . 0.0 109.722 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -63.81 -43.92 94.83 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.319 -0.863 . . . . 0.0 109.823 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.556 ' CG ' HD11 ' A' ' 12' ' ' LEU . 81.6 t90 -70.37 -38.43 74.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 0.0 109.801 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -59.85 -46.41 89.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.869 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.77 -45.58 94.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.125 -0.985 . . . . 0.0 109.757 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -67.81 -40.37 83.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.352 -0.842 . . . . 0.0 109.862 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.24 86.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.426 -0.796 . . . . 0.0 110.365 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -62.71 -44.85 95.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.176 -0.953 . . . . 0.0 110.274 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -67.82 -17.1 64.4 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.223 -0.923 . . . . 0.0 110.171 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 tpt85 -104.35 -21.94 13.42 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.442 -0.786 . . . . 0.0 110.092 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' LEU . 82.9 mt -95.77 -66.12 0.93 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.19 -0.944 . . . . 0.0 111.019 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 6.1 mp -36.58 -64.27 0.39 Allowed Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 121.759 -0.588 . . . . 0.0 111.27 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 16.1 Cg_endo . . . . . 0 C--N 1.306 -1.672 0 C-N-CA 121.893 1.729 . . . . 0.0 112.32 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.8 147.39 95.34 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 122.733 2.289 . . . . 0.0 112.995 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -62.7 -40.3 96.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.67 -0.644 . . . . 0.0 109.783 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.72 -46.26 90.4 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.067 -1.021 . . . . 0.0 109.743 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -63.06 -43.21 99.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.13 -0.981 . . . . 0.0 109.654 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.7 t -66.25 -43.09 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.465 -0.772 . . . . 0.0 109.584 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -60.97 -44.64 97.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.844 . . . . 0.0 109.49 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.67 -45.35 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.139 -0.975 . . . . 0.0 109.659 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.485 HD23 HD22 ' A' ' 41' ' ' LEU . 13.3 mt -65.58 -41.68 92.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.424 -0.798 . . . . 0.0 109.894 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -62.99 -43.69 98.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.16 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -63.38 -47.59 81.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.497 -0.752 . . . . 0.0 109.689 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -62.0 -50.32 72.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.847 . . . . 0.0 109.568 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' ARG . 51.7 tp -64.39 -42.42 96.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.293 -0.879 . . . . 0.0 109.687 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -60.69 -48.1 83.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.399 -0.813 . . . . 0.0 109.665 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.17 -38.55 85.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.399 -0.813 . . . . 0.0 109.553 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -103.71 30.82 4.8 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.627 ' O ' HD11 ' A' ' 64' ' ' LEU . 50.4 ptt85 -61.74 -38.8 89.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.647 -0.658 . . . . 0.0 109.819 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -73.69 -16.56 61.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.275 -0.89 . . . . 0.0 109.609 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' ALA . 34.6 t30 -120.83 -97.92 0.45 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.695 -0.628 . . . . 0.0 109.691 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . 39.52 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.785 -0.572 . . . . 0.0 110.2 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.437 ' C ' ' H ' ' A' ' 34' ' ' SER . 5.6 m-85 -99.78 154.34 37.3 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.433 -0.792 . . . . 0.0 109.533 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.94 26.33 0.21 Allowed 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.783 2.322 . . . . 0.0 111.437 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 32' ' ' TYR . 17.5 m -71.47 154.07 41.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 0.0 110.518 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.58 -34.08 77.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.466 -0.771 . . . . 0.0 109.944 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.17 -44.24 92.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.127 -0.983 . . . . 0.0 109.405 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -68.72 -38.58 80.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.304 -0.872 . . . . 0.0 109.504 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -64.29 -40.54 96.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.23 -0.919 . . . . 0.0 109.46 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.41 94.96 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.223 -0.923 . . . . 0.0 108.955 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 40' ' ' LEU . 2.9 tt -63.3 -43.68 97.17 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 122.052 0.93 . . . . 0.0 108.86 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.485 HD22 HD23 ' A' ' 20' ' ' LEU . 97.9 mt -70.7 -40.37 72.91 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.116 -0.99 . . . . 0.0 109.448 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 m -63.13 -48.25 79.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 0.0 110.464 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -69.44 -39.4 77.82 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 109.539 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.39 -39.42 85.6 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.409 -0.807 . . . . 0.0 109.565 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.0 p -100.61 172.62 6.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.802 0.811 . . . . 0.0 109.704 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -96.66 9.03 42.82 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -94.09 145.51 24.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.275 -0.891 . . . . 0.0 110.015 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 m -74.23 174.12 9.22 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.761 0.791 . . . . 0.0 110.523 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -66.42 -34.08 77.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.606 -0.684 . . . . 0.0 109.637 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.83 -46.69 88.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.073 -1.017 . . . . 0.0 109.921 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.73 -39.96 73.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 109.616 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.54 -42.85 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.485 -0.759 . . . . 0.0 109.468 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.3 t -61.42 -48.89 79.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.167 -0.958 . . . . 0.0 110.186 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.81 -44.36 93.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.291 -0.88 . . . . 0.0 109.736 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -70.33 -41.43 73.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.482 -0.761 . . . . 0.0 109.777 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.67 -48.98 76.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.264 -0.897 . . . . 0.0 110.22 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.6 -46.13 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.161 -0.962 . . . . 0.0 109.943 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -68.18 -41.93 80.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.372 -0.83 . . . . 0.0 109.677 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.98 -48.12 63.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.487 -0.758 . . . . 0.0 109.653 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HG3' HD23 ' A' ' 64' ' ' LEU . 73.7 ttp85 -66.41 -45.68 79.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.9 . . . . 0.0 109.792 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -65.91 -22.72 66.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.363 -0.835 . . . . 0.0 110.086 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -98.42 -23.94 15.37 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.297 -0.877 . . . . 0.0 109.863 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 64' ' ' LEU . 44.2 mt -90.18 -72.12 0.58 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.136 -0.978 . . . . 0.0 110.995 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.627 HD11 ' O ' ' A' ' 28' ' ' ARG . 3.5 mm? -28.92 -64.31 0.18 Allowed Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.893 -0.505 . . . . 0.0 112.204 -178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 13.4 Cg_endo . . . . . 0 C--N 1.303 -1.822 0 C-N-CA 121.654 1.569 . . . . 0.0 112.399 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.4 mt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.414 ' O ' HG23 ' A' ' 17' ' ' VAL . 88.1 Cg_exo -40.19 163.95 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.612 2.208 . . . . 0.0 113.313 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.95 -39.91 96.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.403 -0.81 . . . . 0.0 109.742 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -58.83 -50.99 71.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.027 -1.046 . . . . 0.0 109.579 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.0 t -63.76 -42.87 97.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.905 . . . . 0.0 109.76 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 13' ' ' PRO . 69.7 t -63.92 -43.18 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.419 -0.801 . . . . 0.0 109.649 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -57.74 -47.91 81.1 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.144 -0.972 . . . . 0.0 109.867 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.49 -46.41 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.975 -1.078 . . . . 0.0 110.148 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.61 -41.6 92.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.243 -0.911 . . . . 0.0 109.777 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -63.31 -41.16 98.92 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.471 -0.768 . . . . 0.0 109.853 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.86 -48.67 79.14 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.179 -0.951 . . . . 0.0 109.796 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -61.55 -43.26 99.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.322 -0.861 . . . . 0.0 109.818 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.3 tp -66.64 -38.2 86.39 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.016 -1.053 . . . . 0.0 109.439 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -58.14 -44.12 87.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.48 -0.763 . . . . 0.0 109.68 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.08 -17.21 53.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.319 -0.863 . . . . 0.0 109.464 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -122.48 44.83 2.52 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.63 -0.669 . . . . 0.0 109.536 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.01 -42.2 97.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.422 -0.799 . . . . 0.0 109.311 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -89.79 -22.23 22.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.44 -0.788 . . . . 0.0 108.952 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -95.44 29.96 2.4 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.91 63.64 7.66 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.393 -0.817 . . . . 0.0 108.996 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.54 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 40.7 p90 -99.88 111.66 62.34 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.334 -0.853 . . . . 0.0 108.832 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -49.04 135.04 29.88 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.898 1.732 . . . . 0.0 113.001 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.6 t -165.39 154.42 12.18 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.178 -0.951 . . . . 0.0 109.692 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -65.27 -36.77 85.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.421 -0.799 . . . . 0.0 109.417 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.0 -47.0 79.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 0.0 109.941 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.63 -45.18 69.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.263 -0.898 . . . . 0.0 109.717 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.83 -40.76 95.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.759 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.07 95.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.107 -0.996 . . . . 0.0 109.478 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.97 -45.3 89.71 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.166 -0.959 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.3 -41.13 94.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.51 -0.744 . . . . 0.0 109.472 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.3 p -63.52 -34.61 78.17 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.351 -0.843 . . . . 0.0 109.67 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -69.04 -39.94 78.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.144 -0.972 . . . . 0.0 109.9 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.08 -41.85 94.66 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 109.603 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 p -96.34 -4.3 42.27 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.539 ' N ' ' O ' ' A' ' 42' ' ' SER . 78.8 m80 56.57 13.61 1.42 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.683 -0.635 . . . . 0.0 109.627 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -79.27 160.91 26.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.508 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 m -72.61 161.41 30.81 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.602 0.715 . . . . 0.0 110.403 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 m -61.32 -44.75 96.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.577 -0.702 . . . . 0.0 109.571 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.5 mp -63.04 -40.44 97.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.118 -0.988 . . . . 0.0 109.457 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -62.6 -43.61 98.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.14 -0.975 . . . . 0.0 109.386 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.62 -43.35 93.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.687 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.8 m -63.47 -43.09 98.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.88 . . . . 0.0 110.249 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -64.47 -46.96 80.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.95 -1.094 . . . . 0.0 109.571 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -67.97 -38.84 83.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.53 -0.731 . . . . 0.0 109.391 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -58.48 -45.91 87.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.457 -0.777 . . . . 0.0 110.039 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.64 -44.26 98.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.224 -0.923 . . . . 0.0 109.683 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -68.78 -47.54 65.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.11 -0.994 . . . . 0.0 110.402 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.44 94.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.767 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -64.04 -42.0 97.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.39 -0.819 . . . . 0.0 109.114 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -74.06 -12.07 60.51 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.761 -0.587 . . . . 0.0 110.105 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -110.26 -6.5 15.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.57 -0.706 . . . . 0.0 109.755 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' LEU . 81.0 mt -114.07 -66.98 1.03 Allowed 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.35 -0.844 . . . . 0.0 111.271 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 5.9 mp -39.62 -62.91 0.74 Allowed Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.582 -0.699 . . . . 0.0 111.294 -178.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 38.6 Cg_exo . . . . . 0 C--N 1.308 -1.594 0 C-N-CA 121.932 1.754 . . . . 0.0 112.063 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 55' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.403 ' O ' HG23 ' A' ' 17' ' ' VAL . 32.9 Cg_exo -58.93 146.95 91.91 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.406 2.071 . . . . 0.0 112.607 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -61.32 -37.83 84.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.615 -0.678 . . . . 0.0 109.49 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.87 -47.65 85.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.537 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.9 p -67.22 -40.06 86.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.134 -0.979 . . . . 0.0 109.355 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 13' ' ' PRO . 59.5 t -63.38 -43.29 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.398 -0.814 . . . . 0.0 109.24 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.29 -49.05 79.32 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.265 -0.897 . . . . 0.0 109.649 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.65 -44.89 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.084 -1.01 . . . . 0.0 109.767 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' CD2' HD22 ' A' ' 41' ' ' LEU . 15.6 mt -63.36 -41.79 98.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.386 -0.821 . . . . 0.0 109.712 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.08 -39.28 91.89 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.369 -0.832 . . . . 0.0 109.376 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.76 -47.67 79.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -0.835 . . . . 0.0 109.684 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -60.47 -41.65 94.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.134 -0.979 . . . . 0.0 109.467 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.27 -40.89 98.67 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.3 -0.875 . . . . 0.0 108.883 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.551 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 3.0 m-85 -60.33 -43.18 96.63 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.719 -0.613 . . . . 0.0 109.696 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.03 -38.02 85.16 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.291 -0.881 . . . . 0.0 109.522 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -91.92 14.86 14.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 108.859 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.551 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 45.2 ttm180 -58.22 146.64 33.15 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.488 -0.758 . . . . 0.0 110.219 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.7 t80 69.18 -60.81 0.45 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.375 0.607 . . . . 0.0 109.642 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 31' ' ' ALA . 76.8 m-20 -62.75 -42.16 99.54 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.358 -0.839 . . . . 0.0 109.544 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' ' CD2' ' A' ' 32' ' ' TYR . . . 48.21 104.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.501 -0.75 . . . . 0.0 110.77 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 31' ' ' ALA . 26.6 m-85 -164.21 73.09 1.68 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.028 -1.045 . . . . 0.0 109.1 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.496 ' CG ' ' NH2' ' A' ' 60' ' ' ARG . 35.8 Cg_exo -60.5 148.71 89.96 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.906 2.404 . . . . 0.0 112.34 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 t -147.56 154.99 41.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.218 -0.926 . . . . 0.0 109.827 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -56.89 -22.2 35.37 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.473 -0.767 . . . . 0.0 109.814 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -60.23 -49.47 77.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.153 -0.967 . . . . 0.0 109.624 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 37' ' ' GLU . 52.1 mp0 -68.15 -39.98 82.5 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.326 -0.859 . . . . 0.0 109.473 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -63.16 -40.83 98.69 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.317 -0.865 . . . . 0.0 109.468 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.78 -53.54 54.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.211 -0.931 . . . . 0.0 109.974 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.86 -40.49 95.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.869 . . . . 0.0 109.471 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 20' ' ' LEU . 28.1 mt -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.272 -0.893 . . . . 0.0 109.669 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.6 p -62.08 -39.55 92.8 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.272 -0.892 . . . . 0.0 109.632 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -77.04 -45.97 25.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 0.0 109.452 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.79 -40.6 92.08 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.356 -0.84 . . . . 0.0 109.67 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.436 ' C ' ' H ' ' A' ' 47' ' ' LEU . 22.9 p -107.77 129.69 55.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.519 -0.738 . . . . 0.0 109.12 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -71.17 42.68 0.07 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.665 -0.647 . . . . 0.0 109.488 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.444 HD22 ' NE2' ' A' ' 51' ' ' GLN . 86.4 mt -114.09 148.47 37.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.603 -0.686 . . . . 0.0 109.643 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -68.56 159.98 30.84 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.682 0.753 . . . . 0.0 110.684 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.7 m -61.79 -43.69 98.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.64 -0.663 . . . . 0.0 110.125 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.8 mp -62.95 -40.39 97.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.171 -0.956 . . . . 0.0 109.708 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.549 HE21 HD22 ' A' ' 12' ' ' LEU . 59.6 tt0 -62.31 -41.24 98.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.334 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.57 -44.47 96.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.366 -0.833 . . . . 0.0 109.569 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -64.42 -47.28 79.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.37 -0.831 . . . . 0.0 110.11 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -63.61 -41.49 98.29 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.897 . . . . 0.0 109.196 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.554 ' CD1' HD11 ' A' ' 12' ' ' LEU . 82.0 t90 -66.3 -38.52 87.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.498 -0.751 . . . . 0.0 109.851 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.83 -46.36 87.86 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 109.892 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.19 -48.44 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.094 -1.004 . . . . 0.0 110.426 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -67.72 -42.78 81.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.997 -1.064 . . . . 0.0 110.057 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.423 ' HB2' ' CE2' ' A' ' 55' ' ' TRP . . . -64.37 -35.51 81.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.278 -0.889 . . . . 0.0 109.58 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.496 ' NH2' ' CG ' ' A' ' 33' ' ' PRO . 37.2 ttm180 -62.55 -49.38 75.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.034 -1.041 . . . . 0.0 109.856 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -75.99 -5.54 46.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.191 -0.943 . . . . 0.0 110.052 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -107.03 -26.98 10.92 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.606 -0.684 . . . . 0.0 110.285 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.7 mt -98.05 -45.39 6.27 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.184 -0.947 . . . . 0.0 111.008 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.525 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.6 tp -51.68 -43.41 87.79 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.076 -1.015 . . . . 0.0 111.016 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 2.1 Cg_endo . . . . . 0 C--N 1.309 -1.506 0 C-N-CA 121.768 1.646 . . . . 0.0 111.187 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -43.64 157.72 0.12 Allowed 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.38 2.054 . . . . 0.0 113.259 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -44.53 96.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.463 -0.773 . . . . 0.0 110.106 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.89 -41.7 99.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.109 -0.994 . . . . 0.0 109.734 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -63.51 -43.58 96.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.065 -1.022 . . . . 0.0 109.515 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.47 -43.27 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.254 -0.904 . . . . 0.0 109.218 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -57.16 -44.97 83.98 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.332 -0.855 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.22 -44.94 97.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.136 -0.978 . . . . 0.0 109.468 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.429 HD21 HG21 ' A' ' 45' ' ' THR . 91.9 mt -65.54 -42.37 92.0 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.918 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -65.59 -41.89 92.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.31 -0.869 . . . . 0.0 109.911 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.59 -46.17 91.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.275 -0.89 . . . . 0.0 110.207 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.539 ' NE1' ' OE2' ' A' ' 37' ' ' GLU . 68.3 t-105 -62.68 -41.14 98.94 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 109.615 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' ARG . 32.7 tp -63.04 -40.82 98.86 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.28 -0.887 . . . . 0.0 109.485 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CE1' ' NH2' ' A' ' 28' ' ' ARG . 3.7 m-85 -60.85 -37.88 83.6 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.345 -0.847 . . . . 0.0 109.191 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.44 -39.16 93.73 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.153 -0.967 . . . . 0.0 109.375 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -134.94 57.21 1.81 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.471 -0.768 . . . . 0.0 108.952 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 25' ' ' TYR . 4.3 ptp180 -71.07 -35.51 71.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.592 -0.693 . . . . 0.0 109.922 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -61.21 -47.15 87.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.183 -0.948 . . . . 0.0 110.142 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.438 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 21.7 t-20 -97.08 -105.08 0.17 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.191 -0.943 . . . . 0.0 110.216 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' N ' ' CG ' ' A' ' 30' ' ' ASN . . . 44.39 51.86 7.55 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.02 166.14 40.67 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 109.265 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.51 134.28 51.96 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.284 1.989 . . . . 0.0 113.074 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.1 p -167.79 150.97 5.95 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.446 -0.784 . . . . 0.0 109.333 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 58.9 mp0 -71.2 -38.63 72.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.392 -0.818 . . . . 0.0 109.711 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -65.99 -43.24 88.34 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.242 -0.911 . . . . 0.0 109.984 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.539 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 51.0 tp10 -67.82 -43.73 78.94 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.233 -0.917 . . . . 0.0 109.611 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -63.01 -44.14 96.82 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.17 -0.956 . . . . 0.0 109.219 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.09 87.1 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.308 -0.87 . . . . 0.0 109.318 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.49 -48.66 76.74 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.338 -0.851 . . . . 0.0 109.421 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.85 -39.65 83.79 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.53 -0.731 . . . . 0.0 109.603 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 46' ' ' HIS . 38.2 t -60.85 -42.29 97.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.48 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.41 -40.68 93.66 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.197 -0.939 . . . . 0.0 109.138 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -64.86 -39.93 94.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.228 -0.92 . . . . 0.0 109.825 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.429 HG21 HD21 ' A' ' 20' ' ' LEU . 54.6 p -93.1 -10.56 35.56 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.252 -0.905 . . . . 0.0 109.116 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 42' ' ' SER . 59.2 m-70 60.86 7.65 1.55 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.533 -0.729 . . . . 0.0 109.121 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.9 mt -87.29 167.08 14.39 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.355 -0.84 . . . . 0.0 110.211 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.4 p -73.79 159.21 33.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.441 -0.787 . . . . 0.0 110.444 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.449 ' O ' ' SG ' ' A' ' 53' ' ' CYS . 30.1 p -67.92 -33.95 75.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.426 -0.796 . . . . 0.0 109.817 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.74 -45.37 93.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.136 -0.977 . . . . 0.0 109.844 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -70.3 -41.97 72.64 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.214 -0.929 . . . . 0.0 109.674 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.59 -43.67 93.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.289 -0.882 . . . . 0.0 109.71 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 49' ' ' THR . 87.3 m -61.83 -38.76 89.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.342 -0.849 . . . . 0.0 110.116 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -64.22 -41.16 97.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.091 -1.006 . . . . 0.0 109.728 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -59.45 -47.14 86.63 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.249 -0.907 . . . . 0.0 109.054 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.455 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 34.6 m-85 -65.73 -36.89 84.87 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.887 -1.125 . . . . 0.0 113.714 -177.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.02 -49.37 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 C-N-CA 115.868 -2.333 . . . . 0.0 108.89 -177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -68.97 -44.49 72.82 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.805 -1.185 . . . . 0.0 109.876 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.95 95.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.758 -1.214 . . . . 0.0 110.102 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 56' ' ' PHE . 79.8 mtp85 -63.47 -43.0 98.58 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.068 -1.02 . . . . 0.0 109.836 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.89 -17.73 62.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.189 -0.944 . . . . 0.0 110.184 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -104.56 -5.22 21.71 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.2 -0.937 . . . . 0.0 110.11 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' LEU . 79.0 mt -113.39 -66.28 1.1 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.301 -0.874 . . . . 0.0 110.425 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 6.4 mp -39.19 -64.13 0.54 Allowed Pre-proline 0 N--CA 1.498 1.948 0 O-C-N 121.485 -0.76 . . . . 0.0 110.987 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.428 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 12.6 Cg_endo . . . . . 0 N--CA 1.494 1.528 0 C-N-CA 121.784 1.656 . . . . 0.0 111.594 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.886 0.374 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.29 141.56 0.74 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.801 2.334 . . . . 0.0 113.046 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.71 -31.44 72.62 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.402 0.62 . . . . 0.0 110.038 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.4 -49.6 73.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.404 -0.81 . . . . 0.0 109.996 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -67.82 -39.27 83.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.316 -0.865 . . . . 0.0 109.7 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.59 -42.32 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.559 -0.713 . . . . 0.0 109.488 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.98 -44.01 93.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.597 -0.689 . . . . 0.0 110.057 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.28 -44.5 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.327 -0.858 . . . . 0.0 109.682 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.81 -41.02 92.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.481 -0.762 . . . . 0.0 109.643 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -65.21 -41.6 94.33 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.542 0.687 . . . . 0.0 109.667 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.43 -44.11 97.7 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.528 -0.733 . . . . 0.0 109.951 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.519 ' CZ2' ' NE2' ' A' ' 27' ' ' HIS . 72.8 t-105 -64.34 -47.86 77.73 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.708 0.766 . . . . 0.0 109.562 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.7 -40.6 95.65 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.681 0.753 . . . . 0.0 110.009 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.473 ' CD1' ' NH2' ' A' ' 28' ' ' ARG . 75.4 t80 -60.24 -46.28 90.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.448 -0.782 . . . . 0.0 109.7 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.77 -48.23 80.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.403 -0.811 . . . . 0.0 109.57 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.566 ' O ' ' N ' ' A' ' 29' ' ' TYR . 89.1 m-70 -77.9 -77.38 0.16 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.44 -0.788 . . . . 0.0 109.675 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.473 ' NH2' ' CD1' ' A' ' 25' ' ' TYR . 35.1 ttm180 57.41 -75.65 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.482 0.658 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.566 ' N ' ' O ' ' A' ' 27' ' ' HIS . 99.7 m-85 -61.31 -44.79 96.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.489 -0.757 . . . . 0.0 110.502 -178.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.495 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 77.2 m-20 -67.75 -61.87 1.68 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.098 -1.001 . . . . 0.0 109.589 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 45.9 98.7 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.916 0.865 . . . . 0.0 110.26 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 30' ' ' ASN . 41.7 m-85 -158.07 73.18 4.03 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.613 -0.679 . . . . 0.0 109.262 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.19 144.19 99.5 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.943 2.429 . . . . 0.0 112.3 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.9 t -160.37 170.49 20.92 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.75 0.786 . . . . 0.0 109.86 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -54.83 -22.21 13.75 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.536 0.684 . . . . 0.0 109.507 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -73.0 -57.68 3.86 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.499 -0.75 . . . . 0.0 109.477 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 37' ' ' GLU . 57.9 mp0 -72.35 -38.51 68.57 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.628 -0.67 . . . . 0.0 110.271 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.04 -43.24 99.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.349 -0.844 . . . . 0.0 109.53 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.97 76.41 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.652 0.739 . . . . 0.0 109.514 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.04 -45.26 86.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.506 -0.746 . . . . 0.0 110.031 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.14 -40.85 90.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.505 -0.747 . . . . 0.0 109.83 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.7 p -62.6 -39.26 93.17 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.505 0.669 . . . . 0.0 109.645 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -66.88 -44.8 79.95 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.535 -0.728 . . . . 0.0 109.461 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -70.57 -40.18 73.47 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.435 -0.791 . . . . 0.0 109.476 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p -87.11 165.79 15.49 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.814 0.816 . . . . 0.0 109.974 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -105.82 26.58 9.44 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.2 mt -109.42 150.42 28.1 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.755 0.788 . . . . 0.0 110.168 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.3 m -67.78 166.42 15.4 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.839 0.828 . . . . 0.0 110.395 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -61.94 -42.92 99.66 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.549 0.69 . . . . 0.0 109.595 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.5 -42.45 99.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.481 -0.762 . . . . 0.0 109.756 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.36 -40.37 95.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.499 -0.75 . . . . 0.0 109.368 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.92 -45.56 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.55 -0.719 . . . . 0.0 109.91 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.0 m -65.63 -45.75 81.85 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.366 -0.834 . . . . 0.0 109.417 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -64.96 -38.76 92.04 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.639 0.733 . . . . 0.0 109.393 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.402 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 85.7 t90 -58.35 -42.31 86.61 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.617 -0.677 . . . . 0.0 110.041 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -63.01 -44.39 96.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.41 -0.806 . . . . 0.0 110.104 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.61 -47.16 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.46 -0.775 . . . . 0.0 110.126 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -76.0 -44.58 38.89 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.44 -0.787 . . . . 0.0 110.247 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' LEU . . . -62.77 -44.81 95.2 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.549 -0.719 . . . . 0.0 110.072 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.53 -46.23 89.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.386 -0.821 . . . . 0.0 109.828 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.52 -16.49 63.45 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.439 -0.788 . . . . 0.0 110.039 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -102.1 -23.36 14.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.35 -0.844 . . . . 0.0 109.434 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 64' ' ' LEU . 69.3 mt -94.02 -70.21 0.72 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.34 -0.85 . . . . 0.0 110.909 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -31.39 -64.88 0.21 Allowed Pre-proline 0 N--CA 1.501 2.094 0 O-C-N 121.89 -0.506 . . . . 0.0 112.055 -178.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 17.4 Cg_endo . . . . . 0 C--N 1.303 -1.849 0 C-N-CA 121.602 1.535 . . . . 0.0 112.633 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.28 157.4 0.17 Allowed 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.579 2.186 . . . . 0.0 113.001 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -60.69 -41.33 94.94 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.458 0.647 . . . . 0.0 109.859 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -59.57 -48.17 82.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.457 -0.777 . . . . 0.0 109.633 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.5 t -64.39 -42.05 96.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.463 -0.773 . . . . 0.0 109.708 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.0 -43.2 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.449 -0.782 . . . . 0.0 109.459 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -45.41 91.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.333 -0.854 . . . . 0.0 109.613 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.95 -45.05 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 CA-C-O 121.696 0.76 . . . . 0.0 109.526 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.88 -41.47 91.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.5 -0.75 . . . . 0.0 109.781 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -63.31 -43.27 98.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.428 -0.795 . . . . 0.0 109.637 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -62.3 -45.89 91.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.576 -0.703 . . . . 0.0 109.717 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.57 ' CD1' HD21 ' A' ' 41' ' ' LEU . 52.4 t-105 -63.09 -46.61 86.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.845 . . . . 0.0 109.413 -179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.19 -40.44 96.11 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.808 0.813 . . . . 0.0 109.218 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.613 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 58.4 t80 -60.65 -47.82 84.55 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.625 -0.672 . . . . 0.0 110.134 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.71 -38.98 77.13 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.425 -0.797 . . . . 0.0 110.064 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.53 46.28 0.93 Allowed 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.613 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 16.9 ptp180 -66.31 -30.27 70.64 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 121.504 0.669 . . . . 0.0 109.777 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -61.78 -43.44 98.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.408 -0.808 . . . . 0.0 109.443 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 9.0 m120 -78.51 -104.95 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.464 -0.773 . . . . 0.0 109.652 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 30' ' ' ASN . . . 64.31 44.93 4.08 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.393 0.616 . . . . 0.0 109.808 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.476 ' C ' ' H ' ' A' ' 34' ' ' SER . 10.5 m-85 -99.81 153.46 37.76 Favored Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 109.335 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.58 19.37 0.18 Allowed 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.858 2.372 . . . . 0.0 111.334 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.476 ' H ' ' C ' ' A' ' 32' ' ' TYR . 32.1 t -63.42 149.23 46.46 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.724 0.773 . . . . 0.0 110.463 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.02 -34.16 77.77 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.507 0.67 . . . . 0.0 109.445 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.51 -40.17 95.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.456 -0.777 . . . . 0.0 109.468 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -65.96 -45.68 80.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.49 -0.756 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -66.04 -39.2 89.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.583 -0.698 . . . . 0.0 109.863 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.55 77.38 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.4 -0.813 . . . . 0.0 109.844 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.73 -43.01 97.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.327 -0.858 . . . . 0.0 109.682 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 23' ' ' TRP . 95.9 mt -65.85 -40.43 91.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.555 -0.716 . . . . 0.0 109.554 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -62.57 -36.48 82.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.589 -0.695 . . . . 0.0 109.504 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.22 -39.1 75.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.531 -0.73 . . . . 0.0 109.657 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -70.48 -39.87 73.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.451 -0.78 . . . . 0.0 109.908 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 47' ' ' LEU . 81.5 p -110.65 128.84 55.86 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.826 0.822 . . . . 0.0 109.719 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -71.05 44.33 0.08 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 121.336 0.588 . . . . 0.0 109.51 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 45' ' ' THR . 95.5 mt -114.87 149.24 37.45 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.74 0.781 . . . . 0.0 109.943 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.2 p -70.75 165.66 22.57 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.858 0.837 . . . . 0.0 110.236 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.0 p -63.14 -40.2 96.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.675 -0.641 . . . . 0.0 109.912 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.5 mp -63.5 -42.26 98.51 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.47 -0.769 . . . . 0.0 109.492 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -68.38 -43.69 76.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.313 -0.867 . . . . 0.0 109.624 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -67.5 -43.3 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.531 -0.73 . . . . 0.0 109.776 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.4 t -60.01 -41.98 93.33 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.554 -0.716 . . . . 0.0 110.117 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -62.68 -49.18 76.13 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.185 -0.947 . . . . 0.0 109.73 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -69.34 -38.73 78.28 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.658 0.742 . . . . 0.0 109.763 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -59.26 -46.18 89.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.567 -0.708 . . . . 0.0 110.035 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.2 -49.21 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.163 -0.96 . . . . 0.0 109.955 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.539 HD21 ' NH2' ' A' ' 62' ' ' ARG . 36.5 t30 -65.69 -42.47 91.17 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.474 -0.766 . . . . 0.0 109.826 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.89 -34.38 75.33 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.549 0.69 . . . . 0.0 109.82 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -55.38 -60.54 3.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.446 -0.784 . . . . 0.0 109.258 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' A' ' 65' ' ' PRO . 84.1 mtt85 -61.68 -31.9 72.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.559 -0.713 . . . . 0.0 110.55 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.539 ' NH2' HD21 ' A' ' 58' ' ' ASN . 36.5 ttm180 -80.0 -15.23 57.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.387 -0.821 . . . . 0.0 110.948 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' LEU . 95.2 mt -114.34 -56.36 2.4 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.22 -0.925 . . . . 0.0 111.462 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . 3.7 mm? -36.87 -63.87 0.43 Allowed Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 121.655 -0.653 . . . . 0.0 111.41 -178.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.451 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 12.0 Cg_endo . . . . . 0 C--N 1.306 -1.694 0 C-N-CA 121.582 1.521 . . . . 0.0 111.663 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.08 152.11 83.42 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.339 2.026 . . . . 0.0 112.375 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HZ2' HH22 ' A' ' 21' ' ' ARG . 56.5 tttp -62.5 -36.48 82.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.377 -0.827 . . . . 0.0 109.563 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -58.32 -53.42 58.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 109.712 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -63.52 -41.73 98.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 0.0 109.887 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.06 -43.47 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.481 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HA ' ' HE ' ' A' ' 21' ' ' ARG . 62.1 tt0 -59.59 -40.54 87.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.317 -0.864 . . . . 0.0 109.761 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.59 -43.95 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.255 -0.903 . . . . 0.0 109.45 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.21 -43.09 99.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.259 -0.901 . . . . 0.0 109.564 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.498 HH22 ' HZ2' ' A' ' 14' ' ' LYS . 90.1 mtm180 -67.21 -38.36 85.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.374 -0.828 . . . . 0.0 109.379 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.78 -46.71 89.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.327 -0.858 . . . . 0.0 109.836 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.509 ' NE1' ' OE2' ' A' ' 37' ' ' GLU . 64.4 t-105 -66.98 -42.29 85.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.478 -0.764 . . . . 0.0 109.516 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.16 -40.92 90.91 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.13 -0.981 . . . . 0.0 109.761 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.33 -48.67 78.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.294 -0.879 . . . . 0.0 109.58 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' OE2' ' CE3' ' A' ' 23' ' ' TRP . 16.3 pt-20 -70.89 -35.79 72.47 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.233 -0.917 . . . . 0.0 109.021 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 28' ' ' ARG . 9.2 t-160 -80.38 -81.55 0.12 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.293 -0.879 . . . . 0.0 109.705 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' ASN . 16.1 ptm180 32.59 -146.14 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.123 0.487 . . . . 0.0 110.913 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 53.44 -84.06 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.649 -0.657 . . . . 0.0 109.793 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 28' ' ' ARG . 15.2 t-20 -112.55 10.76 19.61 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.4 92.9 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.412 -0.805 . . . . 0.0 109.234 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 30' ' ' ASN . 39.0 p90 -92.87 147.27 33.67 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.303 -0.873 . . . . 0.0 109.521 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.98 141.28 52.77 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.319 2.013 . . . . 0.0 112.44 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -161.23 157.65 26.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 109.642 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.18 -37.78 81.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.348 -0.845 . . . . 0.0 109.266 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.26 -44.84 86.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.292 -0.88 . . . . 0.0 109.64 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.509 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 50.1 tp10 -68.87 -47.11 66.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 0.0 109.569 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 98.4 mttt -64.95 -40.67 95.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.492 -0.755 . . . . 0.0 109.951 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.3 85.81 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.288 -0.882 . . . . 0.0 109.35 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.13 -43.99 96.85 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.593 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.71 -41.22 96.14 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.371 -0.831 . . . . 0.0 109.614 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.2 p -61.67 -41.09 97.07 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.323 -0.86 . . . . 0.0 109.504 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.49 -38.86 77.86 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.255 -0.903 . . . . 0.0 109.318 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.74 -40.91 88.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.454 -0.779 . . . . 0.0 109.656 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 p -97.65 -3.07 40.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.197 -0.94 . . . . 0.0 108.828 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 42' ' ' SER . 59.8 t-80 59.08 12.93 2.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.532 -0.73 . . . . 0.0 109.245 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.6 mt -80.97 163.02 23.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.349 -0.845 . . . . 0.0 110.477 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.5 m -72.53 152.69 41.72 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.495 -0.753 . . . . 0.0 110.386 -179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.7 m -62.58 -43.26 99.26 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.704 -0.622 . . . . 0.0 109.324 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.42 -43.45 98.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.458 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.94 -45.31 86.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.341 -0.85 . . . . 0.0 109.934 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.46 -43.28 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 109.701 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.425 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 36.0 t -61.72 -49.63 75.67 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.302 -0.874 . . . . 0.0 109.906 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -63.93 -42.12 97.44 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.136 -0.977 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -67.74 -40.08 84.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.542 -0.723 . . . . 0.0 109.792 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.04 -47.9 83.56 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.402 -0.812 . . . . 0.0 110.122 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.79 -45.83 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.131 -0.981 . . . . 0.0 110.261 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -68.33 -40.6 81.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.231 -0.918 . . . . 0.0 110.439 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.67 88.8 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.318 -0.864 . . . . 0.0 110.172 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -64.71 -39.66 94.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.107 -0.996 . . . . 0.0 110.012 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -74.28 -7.65 53.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.52 -0.738 . . . . 0.0 110.052 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.6 mmt-85 -120.65 -5.98 9.7 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.381 -0.824 . . . . 0.0 110.064 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -110.98 -58.95 2.03 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.282 -0.886 . . . . 0.0 110.36 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.42 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -47.98 -50.86 51.79 Favored Pre-proline 0 C--N 1.304 -1.403 0 O-C-N 121.261 -0.899 . . . . 0.0 110.138 -178.424 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 35.6 Cg_exo . . . . . 0 C--N 1.309 -1.501 0 C-N-CA 121.403 1.402 . . . . 0.0 111.53 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 12' ' ' LEU . 6.1 mt . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.4 ' O ' HG23 ' A' ' 17' ' ' VAL . 37.5 Cg_endo -65.41 163.44 29.62 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.632 2.222 . . . . 0.0 112.843 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -58.97 -40.15 83.88 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.377 0.608 . . . . 0.0 109.531 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -56.95 -46.47 82.11 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.298 -0.876 . . . . 0.0 109.425 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -67.51 -36.46 81.09 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.355 -0.841 . . . . 0.0 109.457 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 13' ' ' PRO . 71.0 t -63.78 -43.73 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.461 -0.775 . . . . 0.0 109.384 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -62.86 -43.11 99.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.407 -0.808 . . . . 0.0 109.37 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.96 -45.95 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.334 -0.854 . . . . 0.0 109.56 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.07 -40.05 82.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.534 -0.729 . . . . 0.0 109.714 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -62.12 -42.14 98.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.467 -0.771 . . . . 0.0 109.662 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.71 -45.05 95.62 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.473 -0.767 . . . . 0.0 109.379 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -65.46 -42.64 92.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.538 -0.726 . . . . 0.0 109.436 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.2 tp -67.92 -35.88 79.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.464 -0.773 . . . . 0.0 109.624 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -59.06 -48.54 81.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.424 -0.797 . . . . 0.0 109.672 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.18 -34.94 71.38 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.493 -0.754 . . . . 0.0 109.993 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -105.9 38.26 2.05 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.329 -0.857 . . . . 0.0 109.091 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -60.89 -34.78 75.16 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -61.55 -41.53 97.51 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -90.08 90.82 8.29 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.769 0.795 . . . . 0.0 109.119 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 32' ' ' TYR . . . -95.99 68.03 2.71 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.53 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 1.7 t80 165.57 94.49 0.02 OUTLIER Pre-proline 0 C--N 1.301 -1.516 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -81.49 144.49 14.28 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.634 2.223 . . . . 0.0 112.437 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -80.77 171.15 15.38 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.871 0.843 . . . . 0.0 110.652 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -53.21 -43.74 67.45 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.5 0.667 . . . . 0.0 109.821 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -66.66 -41.85 87.54 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.298 -0.876 . . . . 0.0 109.485 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -66.7 -38.57 87.02 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.462 -0.774 . . . . 0.0 109.441 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -63.59 -39.29 94.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.52 -0.738 . . . . 0.0 109.427 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.72 93.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.487 -0.758 . . . . 0.0 109.272 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.54 -44.8 93.14 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.468 -0.77 . . . . 0.0 109.604 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.19 -40.31 90.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.553 -0.717 . . . . 0.0 109.453 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.7 p -61.83 -39.47 91.92 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.431 -0.793 . . . . 0.0 109.498 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -68.7 -36.56 78.64 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 121.713 0.768 . . . . 0.0 109.334 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -64.38 -38.63 91.71 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.621 0.725 . . . . 0.0 109.171 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.9 p -98.8 -8.73 25.42 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.338 -0.851 . . . . 0.0 108.912 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 42' ' ' SER . 27.6 m-70 64.91 5.73 3.03 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.577 0.703 . . . . 0.0 109.23 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.4 mt -85.57 160.47 19.63 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.861 0.839 . . . . 0.0 110.375 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.8 m -73.15 155.42 39.66 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.719 0.771 . . . . 0.0 110.214 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 p -64.23 -35.75 81.83 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.553 0.692 . . . . 0.0 109.421 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.42 -42.63 98.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.505 -0.747 . . . . 0.0 109.283 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -66.73 -41.59 87.63 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.514 -0.741 . . . . 0.0 109.444 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.97 -43.21 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 CA-C-O 121.583 0.706 . . . . 0.0 109.531 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.3 t -57.67 -47.63 81.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.47 -0.768 . . . . 0.0 109.889 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -64.05 -44.7 91.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.461 -0.775 . . . . 0.0 109.709 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.42 ' CE2' ' HB2' ' A' ' 59' ' ' ALA . 73.4 t90 -66.13 -38.92 89.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.509 -0.745 . . . . 0.0 109.541 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.11 -43.68 91.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.619 -0.676 . . . . 0.0 109.798 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.6 -46.29 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.339 -0.851 . . . . 0.0 109.727 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -70.01 -43.19 71.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.219 -0.926 . . . . 0.0 109.727 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' A' ' 55' ' ' TRP . . . -64.62 -36.61 84.82 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.426 -0.796 . . . . 0.0 109.308 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -66.88 -42.41 85.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.531 -0.731 . . . . 0.0 109.758 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -70.12 -16.52 63.12 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.455 -0.778 . . . . 0.0 110.292 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -107.82 -31.05 8.19 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.326 -0.859 . . . . 0.0 110.363 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.9 mt -94.82 -40.9 9.5 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.081 -1.012 . . . . 0.0 111.168 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.598 ' N ' ' HD2' ' A' ' 65' ' ' PRO . 6.4 tp -53.37 -50.01 85.12 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.181 -0.95 . . . . 0.0 110.836 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 64' ' ' LEU . 19.0 Cg_endo . . . . . 0 N--CA 1.495 1.571 0 C-N-CA 121.442 1.428 . . . . 0.0 111.997 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.503 HD11 ' CG ' ' A' ' 55' ' ' TRP . 5.8 mt . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.84 156.98 0.38 Allowed 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.911 1.741 . . . . 0.0 112.495 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -60.05 -43.35 95.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.453 -0.779 . . . . 0.0 109.49 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -66.58 -38.33 86.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.433 -0.792 . . . . 0.0 109.664 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -63.41 -41.12 98.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.17 -43.47 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.379 -0.826 . . . . 0.0 109.636 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.67 -45.14 94.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.374 -0.829 . . . . 0.0 110.002 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.86 -45.66 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.205 -0.935 . . . . 0.0 109.64 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.73 -40.85 88.54 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.445 -0.784 . . . . 0.0 109.228 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.85 -39.97 96.02 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.52 -49.27 78.0 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.296 -0.877 . . . . 0.0 109.819 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.569 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 62.9 t-105 -62.8 -46.27 88.77 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.302 -0.874 . . . . 0.0 109.164 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.412 HD13 ' NH2' ' A' ' 60' ' ' ARG . 46.4 tp -62.31 -41.0 98.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.464 -0.773 . . . . 0.0 108.946 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CD2' ' NH1' ' A' ' 28' ' ' ARG . 52.8 t80 -60.05 -47.38 86.1 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.765 -0.585 . . . . 0.0 110.089 -178.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.0 -21.79 65.93 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.411 -0.806 . . . . 0.0 110.098 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.569 ' CE1' ' CE2' ' A' ' 23' ' ' TRP . 1.4 m80 -88.64 -85.88 0.18 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.163 -0.961 . . . . 0.0 110.412 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.571 ' NH1' ' CD2' ' A' ' 25' ' ' TYR . 89.3 mtm-85 46.12 -173.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.605 -0.684 . . . . 0.0 110.449 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 50.02 -82.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.375 0.607 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' ARG . 93.3 m-20 -68.67 -66.87 0.52 Allowed 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.596 -0.69 . . . . 0.0 109.805 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 56.77 116.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.583 0.706 . . . . 0.0 110.269 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' SER . 7.3 p90 -152.93 66.04 5.94 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.34 -0.85 . . . . 0.0 109.212 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -45.02 84.32 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.624 2.216 . . . . 0.0 111.766 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' TYR . 11.4 p -81.24 168.95 17.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.433 -0.792 . . . . 0.0 110.538 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -62.78 -43.29 99.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.603 -0.686 . . . . 0.0 109.269 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -66.2 -39.86 89.97 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.415 -0.803 . . . . 0.0 109.473 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.557 ' CD ' ' HE1' ' A' ' 23' ' ' TRP . 80.4 tt0 -65.71 -46.07 80.37 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.282 -0.886 . . . . 0.0 109.611 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.37 -42.94 92.21 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.422 -0.799 . . . . 0.0 109.581 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.9 99.2 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.518 -0.739 . . . . 0.0 109.379 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.86 -44.97 91.52 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.414 -0.804 . . . . 0.0 109.966 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.94 -40.57 91.48 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.441 -0.787 . . . . 0.0 109.56 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.2 p -62.12 -36.31 81.38 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.439 -0.788 . . . . 0.0 109.527 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -66.61 -42.33 87.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.219 -0.926 . . . . 0.0 109.634 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.47 -39.05 85.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.501 -0.749 . . . . 0.0 109.853 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.445 ' C ' ' H ' ' A' ' 47' ' ' LEU . 43.4 p -94.68 -4.56 47.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.337 -0.852 . . . . 0.0 109.088 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' SER . 86.4 t60 57.25 0.74 0.09 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.681 -0.637 . . . . 0.0 110.807 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.445 ' H ' ' C ' ' A' ' 45' ' ' THR . 82.3 mt -77.49 157.99 30.17 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.85 -1.156 . . . . 0.0 109.899 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -68.06 158.68 32.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.497 -0.752 . . . . 0.0 111.132 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.7 p -65.56 -35.71 81.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.619 -0.676 . . . . 0.0 109.748 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 50' ' ' LEU . 11.1 mp -62.97 -42.08 99.73 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.278 -0.889 . . . . 0.0 109.291 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.39 -46.62 72.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.311 -0.868 . . . . 0.0 110.03 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.01 -42.9 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.237 -0.915 . . . . 0.0 109.209 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.11 -58.6 7.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.586 -0.696 . . . . 0.0 110.254 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.431 ' N ' HD22 ' A' ' 54' ' ' ASN . 2.3 m120 -61.52 -40.73 95.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.316 -0.865 . . . . 0.0 109.425 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.503 ' CG ' HD11 ' A' ' 12' ' ' LEU . 81.1 t90 -59.5 -38.01 79.79 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.4 -0.813 . . . . 0.0 109.417 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -45.27 95.28 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.847 . . . . 0.0 110.162 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 57' ' ' ILE . 2.2 mp -62.2 -48.04 90.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.191 -0.943 . . . . 0.0 109.807 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -71.95 -46.21 58.29 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.252 -0.905 . . . . 0.0 110.218 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.01 85.81 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.542 -0.724 . . . . 0.0 110.32 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' NH2' HD13 ' A' ' 24' ' ' LEU . 59.6 ttm-85 -66.01 -43.26 88.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.031 -1.043 . . . . 0.0 109.992 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -73.69 -16.56 61.2 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.4 -0.812 . . . . 0.0 110.548 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -101.38 -43.96 5.78 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.256 -0.903 . . . . 0.0 109.95 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.97 -40.48 95.06 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.435 -0.79 . . . . 0.0 110.528 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 3.4 mt -55.68 -64.67 2.0 Allowed Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.037 -1.039 . . . . 0.0 111.024 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 9.8 Cg_endo . . . . . 0 N--CA 1.495 1.559 0 C-N-CA 121.88 1.72 . . . . 0.0 111.763 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.83 151.38 77.57 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.891 2.394 . . . . 0.0 113.011 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -55.47 -36.42 66.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.574 -0.704 . . . . 0.0 109.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.48 -46.4 90.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.263 -0.898 . . . . 0.0 109.46 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -64.61 -40.19 95.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.45 -0.781 . . . . 0.0 109.263 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.19 -43.86 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.443 -0.786 . . . . 0.0 109.287 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -62.53 -44.57 96.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 0.0 109.521 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.84 -45.54 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.311 -0.868 . . . . 0.0 109.681 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.9 -39.82 87.53 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.452 -0.78 . . . . 0.0 109.623 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.76 -42.57 97.7 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.522 -0.736 . . . . 0.0 109.592 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.31 -52.62 64.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.379 -0.826 . . . . 0.0 110.083 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.568 ' CE2' ' ND1' ' A' ' 27' ' ' HIS . 88.8 t90 -58.03 -40.91 82.04 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 25' ' ' TYR . 58.0 tp -73.28 -43.27 61.3 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 118.313 -1.355 . . . . 0.0 113.962 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.467 ' CE1' ' NH1' ' A' ' 28' ' ' ARG . 90.3 t80 -54.86 -51.24 66.53 Favored 'General case' 0 N--CA 1.533 3.721 0 O-C-N 116.567 -3.833 . . . . 0.0 108.342 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' OE2' ' CE1' ' A' ' 27' ' ' HIS . 12.7 pt-20 -61.94 -22.47 65.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.749 -1.219 . . . . 0.0 110.596 178.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.568 ' ND1' ' CE2' ' A' ' 23' ' ' TRP . 36.9 m80 -117.82 33.64 5.54 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.16 -0.963 . . . . 0.0 109.382 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' NH1' ' CE1' ' A' ' 25' ' ' TYR . 34.9 ptt180 -65.86 -38.07 87.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.398 -0.814 . . . . 0.0 109.315 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -91.69 -17.66 25.13 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.336 -0.853 . . . . 0.0 109.276 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 32' ' ' TYR . 82.9 m-20 -91.65 12.06 22.36 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.41 86.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.718 0.77 . . . . 0.0 109.754 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.549 ' N ' ' O ' ' A' ' 30' ' ' ASN . 56.3 m-85 -141.52 70.51 26.13 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -44.45 82.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.942 2.428 . . . . 0.0 111.892 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 32' ' ' TYR . 17.2 m -95.32 -174.28 3.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.366 -0.833 . . . . 0.0 110.255 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.54 -42.1 83.26 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.613 0.72 . . . . 0.0 110.29 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -79.56 -39.87 30.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.876 . . . . 0.0 109.768 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.565 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 12.6 mp0 -65.04 -49.01 71.8 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.318 -0.864 . . . . 0.0 109.911 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' A' ' 39' ' ' ALA . 18.4 ptmt -65.21 -40.04 93.62 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.314 -0.866 . . . . 0.0 109.398 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 38' ' ' LYS . . . -65.48 -37.78 87.83 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.625 0.726 . . . . 0.0 109.17 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.9 tt -62.64 -46.59 87.55 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.869 0.842 . . . . 0.0 109.378 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.483 HD21 ' CG ' ' A' ' 23' ' ' TRP . 97.2 mt -63.52 -43.96 95.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 0.0 109.903 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 49' ' ' THR . 73.4 m -64.73 -40.51 95.46 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.401 -0.812 . . . . 0.0 109.628 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -65.7 -40.19 92.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.374 -0.829 . . . . 0.0 109.514 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -64.88 -39.76 94.05 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.215 -0.928 . . . . 0.0 109.438 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -96.77 169.84 9.59 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.956 0.884 . . . . 0.0 109.758 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -99.64 28.58 4.58 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.6 mt -115.6 154.02 30.19 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.865 0.841 . . . . 0.0 109.955 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -72.03 166.0 23.11 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.79 0.805 . . . . 0.0 110.28 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.468 HG22 ' OG ' ' A' ' 42' ' ' SER . 46.2 p -65.2 -32.01 73.48 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.663 0.744 . . . . 0.0 109.272 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 tp -62.94 -42.6 99.86 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.32 -0.863 . . . . 0.0 109.499 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -66.46 -42.14 88.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.44 -0.787 . . . . 0.0 109.778 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.67 -42.33 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.444 -0.785 . . . . 0.0 109.659 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.5 -45.75 80.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.26 -0.9 . . . . 0.0 109.898 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -63.9 -44.14 93.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 109.837 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -67.57 -40.43 84.89 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.396 -0.815 . . . . 0.0 110.066 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.07 -43.65 95.3 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.42 -0.8 . . . . 0.0 110.091 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.06 -45.27 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.23 -0.918 . . . . 0.0 110.015 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.567 ' ND2' ' NE ' ' A' ' 62' ' ' ARG . 1.4 t-20 -72.62 -46.02 56.19 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 122.049 0.928 . . . . 0.0 109.933 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.56 81.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.086 -1.009 . . . . 0.0 109.558 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -63.67 -57.68 9.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.374 -0.829 . . . . 0.0 109.908 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.46 -8.23 8.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.403 -0.81 . . . . 0.0 109.803 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.567 ' NE ' ' ND2' ' A' ' 58' ' ' ASN . 82.7 mtm180 -102.76 -25.63 13.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.449 -0.782 . . . . 0.0 109.481 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' LEU . 79.9 mt -101.21 -56.84 2.21 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.069 -1.02 . . . . 0.0 110.4 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' N ' ' HD2' ' A' ' 65' ' ' PRO . 4.0 mm? -39.72 -57.54 2.5 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.714 -0.616 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 64' ' ' LEU . 24.3 Cg_exo . . . . . 0 C--N 1.309 -1.506 0 C-N-CA 121.66 1.574 . . . . 0.0 111.551 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.87 149.08 47.39 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -108.02 125.82 52.0 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.688 -0.889 . . . . 0.0 109.915 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -73.43 129.8 38.77 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.488 -0.758 . . . . 0.0 109.963 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -152.14 164.09 38.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.311 -0.868 . . . . 0.0 109.314 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -136.63 144.2 43.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.685 -0.634 . . . . 0.0 109.415 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -96.22 113.92 25.56 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.405 -0.81 . . . . 0.0 109.761 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -166.03 138.21 3.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.444 -0.785 . . . . 0.0 108.935 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.8 t -66.58 147.03 53.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.451 -0.781 . . . . 0.0 110.881 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -149.66 149.7 31.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.548 -0.72 . . . . 0.0 109.674 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.1 mtp -83.48 151.08 25.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.486 -0.759 . . . . 0.0 110.199 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.613 HD11 ' CD1' ' A' ' 55' ' ' TRP . 4.0 mt -77.0 164.55 58.43 Favored Pre-proline 0 C--N 1.304 -1.399 0 O-C-N 121.432 -0.793 . . . . 0.0 109.856 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.19 154.03 36.39 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.47 2.113 . . . . 0.0 113.012 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -60.2 -39.1 85.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.552 -0.717 . . . . 0.0 109.739 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.72 -44.33 97.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.066 -1.021 . . . . 0.0 109.564 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -67.78 -37.9 82.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.259 -0.901 . . . . 0.0 109.566 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.28 -42.81 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.441 -0.787 . . . . 0.0 109.18 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.674 HE22 HH21 ' A' ' 21' ' ' ARG . 69.9 tp60 -60.88 -49.76 76.16 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.224 -0.922 . . . . 0.0 109.666 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.52 -45.02 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.252 -0.905 . . . . 0.0 109.761 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.81 -42.53 94.93 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.781 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.674 HH21 HE22 ' A' ' 18' ' ' GLN . 62.1 ttp180 -66.58 -39.92 88.69 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.523 -0.736 . . . . 0.0 109.398 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -58.94 -44.25 91.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.387 -0.821 . . . . 0.0 109.379 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.526 ' CG ' HD21 ' A' ' 41' ' ' LEU . 75.2 t-105 -62.42 -47.12 85.48 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.346 -0.847 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.87 -43.31 96.46 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.427 -0.796 . . . . 0.0 109.464 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -61.19 -42.84 99.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.514 -0.741 . . . . 0.0 109.549 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.62 -33.66 69.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.443 -0.785 . . . . 0.0 109.892 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -118.9 57.83 0.86 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.429 0.633 . . . . 0.0 109.793 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -68.32 -37.94 81.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.566 -0.709 . . . . 0.0 109.502 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.517 ' C ' ' H ' ' A' ' 31' ' ' ALA . 36.0 m-85 -63.23 -72.09 0.15 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.531 -0.731 . . . . 0.0 110.189 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -71.78 33.68 0.06 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.506 -0.746 . . . . 0.0 109.75 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 29' ' ' TYR . . . -75.36 -7.59 54.4 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CE2' ' OE1' ' A' ' 77' ' ' GLN . 28.8 m-85 -52.85 153.44 5.93 Favored Pre-proline 0 C--N 1.305 -1.365 0 O-C-N 121.372 -0.83 . . . . 0.0 109.875 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.57 130.05 21.27 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.053 1.835 . . . . 0.0 112.85 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 p -156.62 141.49 17.06 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.511 -0.743 . . . . 0.0 109.402 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.98 -35.06 74.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.51 -0.744 . . . . 0.0 109.685 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.512 ' CD ' ' H ' ' A' ' 36' ' ' GLN . 28.1 mp0 -61.82 -43.33 99.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.357 -0.839 . . . . 0.0 109.697 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -68.1 -45.29 74.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.267 -0.895 . . . . 0.0 109.595 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -63.51 -42.79 98.47 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.395 -0.816 . . . . 0.0 109.674 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.99 -42.97 79.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.321 -0.862 . . . . 0.0 109.885 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.03 -46.34 84.87 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.258 -0.901 . . . . 0.0 109.965 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.526 HD21 ' CG ' ' A' ' 23' ' ' TRP . 98.2 mt -65.38 -39.56 92.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.455 -0.778 . . . . 0.0 109.447 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 t -59.72 -44.73 93.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.471 -0.768 . . . . 0.0 109.875 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.36 -40.07 85.76 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.178 -0.951 . . . . 0.0 109.435 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.33 -42.49 88.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.875 . . . . 0.0 109.925 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 p -91.4 167.66 12.11 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.188 -0.945 . . . . 0.0 109.91 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -97.16 16.04 20.93 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.44 159.42 14.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.427 -0.796 . . . . 0.0 110.081 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 p -75.55 167.16 22.42 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.721 0.772 . . . . 0.0 110.423 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.9 m -61.9 -42.65 99.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.601 -0.687 . . . . 0.0 109.702 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 50' ' ' LEU . 4.0 mm? -62.17 -42.81 99.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 0.0 109.83 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -64.61 -46.78 81.17 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.232 -0.918 . . . . 0.0 109.621 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.16 -43.46 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.321 -0.862 . . . . 0.0 109.715 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.9 t -62.34 -50.16 72.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 0.0 109.843 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -64.12 -41.95 97.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 0.0 109.154 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.613 ' CD1' HD11 ' A' ' 12' ' ' LEU . 75.4 t90 -65.49 -39.67 92.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.544 -0.723 . . . . 0.0 109.094 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.63 -44.26 97.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.419 -0.801 . . . . 0.0 109.517 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.49 -44.65 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 0.0 109.643 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.574 ' ND2' ' CZ ' ' A' ' 62' ' ' ARG . 66.6 t30 -74.43 -51.68 14.22 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.359 -0.838 . . . . 0.0 110.09 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB2' ' CE2' ' A' ' 55' ' ' TRP . . . -58.59 -48.09 82.12 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.373 -0.829 . . . . 0.0 109.67 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.486 HH12 ' NE2' ' A' ' 77' ' ' GLN . 72.6 ttp85 -61.68 -43.34 99.05 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.44 -0.788 . . . . 0.0 109.478 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -65.66 -17.13 64.38 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.853 . . . . 0.0 110.26 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.574 ' CZ ' ' ND2' ' A' ' 58' ' ' ASN . 90.6 mtm180 -108.72 -17.61 13.91 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.393 -0.817 . . . . 0.0 110.371 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.5 mt -95.98 -44.23 7.45 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.126 -0.984 . . . . 0.0 110.984 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.501 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.1 tp -56.91 -45.69 99.93 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.156 -0.965 . . . . 0.0 111.054 -178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 32.4 Cg_exo -54.76 -44.6 48.1 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 121.432 1.421 . . . . 0.0 111.766 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.39 -48.4 67.48 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.354 0.597 . . . . 0.0 110.117 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.3 mmt -67.24 -42.29 84.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.357 -0.84 . . . . 0.0 110.158 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.458 HD22 ' O ' ' A' ' 74' ' ' ASP . 66.3 mt -64.25 -44.51 91.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -67.13 -40.27 86.75 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.173 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -65.03 -45.11 86.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.619 -0.676 . . . . 0.0 109.503 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -82.59 -74.09 0.37 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.346 -0.846 . . . . 0.0 109.524 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.91 42.94 3.43 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -106.7 -20.25 13.41 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.509 -0.995 . . . . 0.0 108.985 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.458 ' O ' HD22 ' A' ' 68' ' ' LEU . 4.4 p-10 -170.75 67.29 0.49 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.271 -0.893 . . . . 0.0 109.538 179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.93 111.13 2.91 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.393 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -165.61 -176.09 3.78 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.63 -0.669 . . . . 0.0 109.62 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.503 ' OE1' ' CE2' ' A' ' 32' ' ' TYR . 65.9 tt0 54.39 104.6 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.681 -0.637 . . . . 0.0 110.541 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 77' ' ' GLN . 93.8 m-85 36.25 96.31 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.573 0.701 . . . . 0.0 110.893 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.7 p -92.42 6.63 46.31 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.6 tt -51.04 143.96 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-O 121.764 0.792 . . . . 0.0 110.354 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.4 t -61.8 -141.64 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.602 0.715 . . . . 0.0 110.714 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -85.93 49.94 1.88 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.504 -0.748 . . . . 0.0 109.855 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 53.59 82.2 0.08 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.577 -0.702 . . . . 0.0 110.13 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.71 -100.64 0.45 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 61.04 28.26 18.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.539 -0.977 . . . . 0.0 109.419 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -97.12 0.01 47.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -0.834 . . . . 0.0 108.944 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 87' ' ' ILE . 1.7 mp -81.43 131.58 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -0.896 . . . . 0.0 109.752 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.7 t -162.2 125.09 2.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.395 -0.816 . . . . 0.0 109.341 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 117.792 -1.099 . . . . 0.0 108.841 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.502 0.668 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.16 -106.48 0.2 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 45.12 85.01 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.882 0.849 . . . . 0.0 109.727 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -81.43 136.61 35.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.518 -0.739 . . . . 0.0 110.21 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -68.45 -34.49 76.07 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.55 0.691 . . . . 0.0 109.726 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.576 ' O ' ' N ' ' A' ' 8' ' ' HIS . 96.3 m-70 -58.31 -41.27 84.12 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.297 -0.877 . . . . 0.0 109.597 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.8 t60 59.61 -69.84 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 121.419 0.628 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.576 ' N ' ' O ' ' A' ' 6' ' ' HIS . 0.4 OUTLIER -151.19 149.52 29.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.121 -0.987 . . . . 0.0 109.845 -179.694 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 p -160.04 163.92 33.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.375 -0.828 . . . . 0.0 110.093 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 11' ' ' MET . 49.6 p-80 -61.31 -148.66 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.775 0.797 . . . . 0.0 111.322 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.437 ' N ' ' CD2' ' A' ' 10' ' ' HIS . 79.0 mtm -77.89 -170.49 1.91 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.737 0.78 . . . . 0.0 110.602 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.82 159.73 80.99 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.609 -0.682 . . . . 0.0 110.557 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' HG23 ' A' ' 17' ' ' VAL . 69.4 Cg_exo -50.37 146.03 19.86 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.502 2.135 . . . . 0.0 113.278 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.71 -43.2 94.22 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.435 0.636 . . . . 0.0 109.522 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.29 -45.91 91.15 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.124 -0.985 . . . . 0.0 109.612 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.4 p -69.1 -39.8 78.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.259 -0.901 . . . . 0.0 109.806 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 13' ' ' PRO . 49.9 t -65.16 -43.65 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.403 -0.811 . . . . 0.0 109.484 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -62.32 -43.34 99.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.44 -0.787 . . . . 0.0 109.713 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.89 -46.15 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.205 -0.934 . . . . 0.0 109.405 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.71 -41.88 87.26 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.382 -0.824 . . . . 0.0 109.39 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -64.59 -41.55 96.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.484 -0.76 . . . . 0.0 109.195 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.02 -40.42 95.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.412 -0.805 . . . . 0.0 109.145 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.571 ' CE3' HD21 ' A' ' 41' ' ' LEU . 45.4 t-105 -59.81 -47.82 84.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.909 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.83 -42.7 97.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.405 -0.809 . . . . 0.0 109.86 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -63.47 -39.1 93.55 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.297 -0.877 . . . . 0.0 109.433 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -65.48 -38.51 89.98 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.384 -0.822 . . . . 0.0 109.604 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.465 ' ND1' ' N ' ' A' ' 80' ' ' ILE . 17.4 m-70 -127.1 70.21 1.29 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.314 -0.866 . . . . 0.0 109.043 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' CD ' ' SD ' ' A' ' 67' ' ' MET . 88.6 mtm180 -67.16 -39.21 86.47 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.573 -0.704 . . . . 0.0 109.596 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.412 ' C ' ' H ' ' A' ' 31' ' ' ALA . 71.5 m-85 -66.51 -34.0 76.95 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.363 -0.836 . . . . 0.0 109.75 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' A' ' 32' ' ' TYR . 62.3 t-20 -72.03 47.21 0.15 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 108.795 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 29' ' ' TYR . . . -72.08 36.98 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.588 0.709 . . . . 0.0 109.445 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.498 ' H ' ' C ' ' A' ' 30' ' ' ASN . 24.2 m-85 -136.91 76.3 46.63 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -58.67 146.47 91.8 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 123.183 2.589 . . . . 0.0 112.306 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.8 m -125.45 157.34 37.18 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.802 0.81 . . . . 0.0 110.024 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -52.26 -40.17 61.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.645 -0.659 . . . . 0.0 109.487 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -66.17 -40.57 90.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.392 -0.817 . . . . 0.0 109.087 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.484 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 79.7 tt0 -68.89 -40.65 79.08 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.387 -0.821 . . . . 0.0 109.688 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.52 -41.54 98.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.289 -0.882 . . . . 0.0 109.707 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.21 83.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.152 -0.968 . . . . 0.0 109.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -62.5 -48.38 79.8 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.905 . . . . 0.0 109.587 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.571 HD21 ' CE3' ' A' ' 23' ' ' TRP . 81.9 mt -68.2 -40.18 82.23 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.471 -0.768 . . . . 0.0 110.253 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' THR . 11.4 t -62.16 -41.21 98.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.345 -0.847 . . . . 0.0 109.739 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -64.06 -41.01 97.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 0.0 109.437 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -65.58 -42.83 91.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -0.878 . . . . 0.0 109.933 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' SER . 80.5 p -98.18 177.98 5.22 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.205 -0.934 . . . . 0.0 109.898 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -99.56 36.61 1.74 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.66 -0.65 . . . . 0.0 109.539 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -115.23 149.07 38.32 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.83 0.824 . . . . 0.0 110.008 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -80.71 173.46 12.59 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.845 0.831 . . . . 0.0 110.523 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -62.49 -44.0 97.45 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 121.598 0.713 . . . . 0.0 109.878 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.94 -42.48 99.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.913 . . . . 0.0 109.713 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -64.26 -44.88 90.4 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.364 -0.835 . . . . 0.0 109.632 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.37 -43.75 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.433 -0.792 . . . . 0.0 109.827 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.3 t -60.89 -42.65 98.4 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.2 -0.938 . . . . 0.0 109.548 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -64.81 -40.38 95.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.414 -0.804 . . . . 0.0 109.396 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.63 -40.46 97.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.525 -0.735 . . . . 0.0 109.569 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -61.52 -46.62 89.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.188 -0.945 . . . . 0.0 110.135 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.57 -48.82 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.26 -0.9 . . . . 0.0 110.499 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -75.15 -44.04 49.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.237 -0.915 . . . . 0.0 110.604 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.68 -51.75 38.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.319 -0.863 . . . . 0.0 111.151 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -60.99 -44.92 96.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.259 -0.901 . . . . 0.0 109.941 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -65.92 -35.79 81.59 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.307 -0.87 . . . . 0.0 110.01 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -87.02 -13.22 45.04 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.175 -0.953 . . . . 0.0 110.222 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' O ' ' CB ' ' A' ' 67' ' ' MET . 39.8 mt -98.77 -32.58 11.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.125 -0.984 . . . . 0.0 110.293 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -58.3 -48.47 96.94 Favored Pre-proline 0 C--N 1.297 -1.698 0 O-C-N 121.13 -0.981 . . . . 0.0 110.515 -179.294 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 37.7 Cg_exo -54.99 -52.9 6.88 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 121.601 1.534 . . . . 0.0 111.897 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -76.22 -42.65 45.33 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.659 0.743 . . . . 0.0 110.171 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.482 ' SD ' ' CD ' ' A' ' 28' ' ' ARG . 57.9 ttm -61.73 -46.82 87.99 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.342 -0.849 . . . . 0.0 109.989 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.68 -42.58 95.24 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.431 -0.793 . . . . 0.0 110.071 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -64.76 -41.72 95.68 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.711 0.767 . . . . 0.0 109.034 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.41 -45.69 86.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.609 -0.682 . . . . 0.0 109.842 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -157.68 79.84 0.87 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.111 -0.993 . . . . 0.0 109.459 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' ASP . . . -59.97 -142.53 0.01 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 5.2 mptp? -47.26 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.588 -0.949 . . . . 0.0 109.999 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' GLY . 12.1 m-20 -158.89 76.91 3.22 Favored Pre-proline 0 C--N 1.302 -1.486 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.28 141.53 88.51 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.531 2.154 . . . . 0.0 111.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -164.13 -48.66 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.397 -0.815 . . . . 0.0 109.034 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -79.77 144.83 33.23 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 121.797 0.808 . . . . 0.0 110.344 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -58.47 105.28 0.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.687 0.756 . . . . 0.0 110.11 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.555 ' O ' ' N ' ' A' ' 81' ' ' SER . 44.6 p -88.94 162.16 16.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.683 -0.636 . . . . 0.0 110.559 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.465 ' N ' ' ND1' ' A' ' 27' ' ' HIS . 47.1 pt 33.8 28.24 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 CA-C-O 121.57 0.7 . . . . 0.0 110.874 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 79' ' ' THR . 32.6 m -92.99 -71.06 0.67 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.304 -0.872 . . . . 0.0 109.792 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -69.81 -1.02 8.16 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.23 -0.918 . . . . 0.0 109.284 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -67.5 133.82 50.2 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.775 0.797 . . . . 0.0 110.358 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.54 29.68 54.97 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.33 144.28 20.97 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.445 -1.032 . . . . 0.0 110.604 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.65 146.22 36.23 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.649 0.737 . . . . 0.0 110.098 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 88' ' ' SER . 19.5 tt -92.99 -5.88 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 CA-C-O 121.697 0.761 . . . . 0.0 109.375 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 87' ' ' ILE . 27.9 t 50.62 176.56 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.9 0.857 . . . . 0.0 110.904 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' N ' ' OG ' ' A' ' 88' ' ' SER . 17.2 pt-20 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.852 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ptm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.76 -176.9 53.43 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -105.02 123.53 47.96 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.584 -0.951 . . . . 0.0 109.631 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -167.54 127.7 1.42 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 109.52 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -152.88 124.29 7.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.25 -0.906 . . . . 0.0 110.08 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.552 ' CG ' ' H ' ' A' ' 7' ' ' HIS . 1.4 t-80 39.81 -157.52 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.664 0.745 . . . . 0.0 111.122 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.552 ' H ' ' CG ' ' A' ' 6' ' ' HIS . 77.6 m80 42.69 89.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.609 -0.682 . . . . 0.0 110.429 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 8' ' ' HIS . 40.6 p-80 -142.08 93.68 2.57 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.495 -0.753 . . . . 0.0 109.696 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' HIS . 81.6 p 41.26 -166.38 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.805 0.812 . . . . 0.0 110.845 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' LEU . 78.8 m80 -150.19 22.1 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 78.3 mtm 42.09 -96.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.564 0.697 . . . . 0.0 110.692 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' HIS . 12.1 mt -79.52 150.88 73.98 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.506 -0.747 . . . . 0.0 109.804 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.86 150.6 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.467 2.111 . . . . 0.0 113.246 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.15 -41.58 97.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.586 -0.696 . . . . 0.0 109.675 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.74 -48.74 78.77 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.141 -0.975 . . . . 0.0 109.396 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.1 m -62.2 -42.94 99.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.312 -0.868 . . . . 0.0 109.414 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.4 t -64.17 -44.04 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.832 . . . . 0.0 109.661 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.17 -46.03 90.76 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.29 -0.881 . . . . 0.0 110.013 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.21 -46.79 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.051 -1.031 . . . . 0.0 109.641 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.38 -41.48 89.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.4 -0.813 . . . . 0.0 109.657 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -62.66 -40.56 97.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.835 . . . . 0.0 109.343 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.2 -46.76 87.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.235 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.443 ' CD1' HD21 ' A' ' 41' ' ' LEU . 59.9 t-105 -61.4 -47.07 87.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.9 . . . . 0.0 109.157 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' ARG . 56.7 tp -63.2 -41.65 99.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.36 -0.837 . . . . 0.0 109.209 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -59.69 -47.3 86.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.455 -0.778 . . . . 0.0 109.514 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.89 -37.92 85.3 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.167 -0.958 . . . . 0.0 109.508 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -102.01 23.71 11.12 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.424 -0.798 . . . . 0.0 109.304 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 24' ' ' LEU . 39.4 ptt180 -50.58 -25.04 3.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 108.966 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -76.39 -97.38 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.484 -0.76 . . . . 0.0 109.63 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.16 113.01 19.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.834 . . . . 0.0 110.187 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.62 83.55 0.97 Allowed 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 3.1 p90 -97.57 151.88 37.87 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.29 -0.881 . . . . 0.0 109.649 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.42 125.58 14.17 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.185 1.923 . . . . 0.0 111.848 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.0 p -158.99 162.12 36.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.263 -0.898 . . . . 0.0 109.681 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -65.35 -35.92 82.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.276 -0.89 . . . . 0.0 109.471 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.54 -45.97 88.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.224 -0.922 . . . . 0.0 109.779 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -68.04 -43.67 78.18 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.05 -1.031 . . . . 0.0 109.473 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.463 ' CE ' ' SG ' ' A' ' 53' ' ' CYS . 63.4 mttp -63.25 -42.23 99.14 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.177 -0.952 . . . . 0.0 109.347 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.2 98.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.346 -0.846 . . . . 0.0 110.03 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 40' ' ' LEU . 3.2 tt -63.05 -44.84 94.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.077 -1.014 . . . . 0.0 109.193 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 23' ' ' TRP . 92.9 mt -64.05 -40.52 96.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.679 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -59.81 -42.8 94.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 109.241 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.24 -40.45 97.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.905 . . . . 0.0 109.485 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.95 -41.14 91.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.099 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.2 p -106.82 -164.44 0.99 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.432 -0.793 . . . . 0.0 109.908 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -129.16 37.9 3.98 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.6 mt -111.28 150.98 28.86 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.554 -0.716 . . . . 0.0 109.86 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.4 p -72.73 167.91 19.85 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.548 0.689 . . . . 0.0 110.22 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.9 p -64.62 -32.38 74.01 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.485 -0.759 . . . . 0.0 109.797 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.83 -45.1 95.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.172 -0.955 . . . . 0.0 109.447 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -68.2 -41.54 81.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 0.0 109.863 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.4 t -64.13 -43.84 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.457 -0.777 . . . . 0.0 110.105 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.463 ' SG ' ' CE ' ' A' ' 38' ' ' LYS . 79.1 m -61.18 -52.08 66.34 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.135 -0.978 . . . . 0.0 110.042 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -64.78 -42.68 94.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.141 -0.974 . . . . 0.0 109.888 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -67.12 -41.42 86.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.0 110.145 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.07 -46.71 89.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.158 -0.964 . . . . 0.0 110.027 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.02 -45.11 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 109.894 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -72.32 -48.01 45.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.289 -0.882 . . . . 0.0 110.25 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.54 92.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.353 -0.842 . . . . 0.0 109.62 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -64.96 -42.13 94.87 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -0.871 . . . . 0.0 109.377 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -66.5 -19.06 65.69 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.182 -0.949 . . . . 0.0 109.852 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -105.6 -22.67 12.93 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.229 -0.919 . . . . 0.0 110.5 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.21 -28.07 12.13 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.133 -0.979 . . . . 0.0 110.806 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 6.0 tp -70.12 -36.31 6.03 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.02 -1.05 . . . . 0.0 110.982 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 36.1 Cg_exo -59.26 -47.49 17.06 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.525 1.483 . . . . 0.0 111.443 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.532 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 99.6 m-20 -64.57 -44.94 89.13 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.637 -0.664 . . . . 0.0 110.061 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 21.4 mmt -62.86 -44.95 94.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.158 -0.964 . . . . 0.0 110.171 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.68 -44.2 91.12 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.171 -0.956 . . . . 0.0 109.613 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.532 ' NH2' ' OD1' ' A' ' 66' ' ' ASP . 88.3 mtm180 -68.66 -37.65 79.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.331 -0.855 . . . . 0.0 109.426 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.12 -45.66 93.79 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.419 -0.801 . . . . 0.0 109.657 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' OD2' ' CZ ' ' A' ' 28' ' ' ARG . 93.4 m-20 -85.35 -8.56 58.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.101 -0.999 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.7 -6.16 2.88 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 71' ' ' ASP . 47.2 tttp -86.15 142.58 28.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -1.122 . . . . 0.0 110.079 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -137.27 78.2 39.88 Favored Pre-proline 0 N--CA 1.495 1.795 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -77.1 119.21 4.96 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.119 1.88 . . . . 0.0 111.529 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' A' ' 76' ' ' ASN . 42.3 p-10 -85.47 113.57 21.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -0.899 . . . . 0.0 110.214 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -151.59 -49.11 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.547 -0.72 . . . . 0.0 109.455 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -83.54 113.32 20.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.915 -1.115 . . . . 0.0 109.207 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.8 p -99.08 -14.97 19.18 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.424 -0.798 . . . . 0.0 109.357 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.5 mm -72.28 -2.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.267 -0.896 . . . . 0.0 109.301 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.2 p -79.78 167.28 20.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.425 -0.797 . . . . 0.0 110.481 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -81.79 -9.04 59.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.523 -0.735 . . . . 0.0 109.68 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -95.33 -5.2 43.98 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.09 -1.007 . . . . 0.0 108.541 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.74 -73.13 1.28 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.41 141.83 56.91 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.382 -1.07 . . . . 0.0 109.995 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -85.52 134.57 34.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.525 -0.735 . . . . 0.0 109.53 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.5 pt -119.85 -5.24 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.39 -0.819 . . . . 0.0 109.213 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.5 t -161.47 125.69 3.38 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.891 . . . . 0.0 109.511 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 117.883 -1.055 . . . . 0.0 109.598 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' A' ' 1' ' ' MET . 3.7 ppp? . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.651 0.739 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.48 -2.34 82.66 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -92.26 163.8 13.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.423 -1.045 . . . . 0.0 110.16 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -66.05 121.69 15.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.328 -0.858 . . . . 0.0 110.066 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -170.64 -60.48 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -66.55 -44.56 82.03 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.478 -0.764 . . . . 0.0 110.064 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -155.56 164.38 38.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.939 -1.1 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.667 ' CG ' ' H ' ' A' ' 9' ' ' SER . 9.8 t-80 -78.05 -148.63 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.329 -0.857 . . . . 0.0 110.754 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.667 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 69.2 m -76.59 -2.9 34.85 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.466 -0.771 . . . . 0.0 109.16 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -148.31 158.41 44.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.215 -0.928 . . . . 0.0 109.86 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.479 ' SD ' ' N ' ' A' ' 11' ' ' MET . 2.5 mpp? -83.82 -75.54 0.33 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.466 -0.771 . . . . 0.0 110.068 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD11 ' CD1' ' A' ' 55' ' ' TRP . 10.3 mt -76.58 151.59 82.88 Favored Pre-proline 0 C--N 1.299 -1.607 0 O-C-N 121.393 -0.817 . . . . 0.0 109.495 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' O ' HG23 ' A' ' 17' ' ' VAL . 81.1 Cg_exo -44.05 162.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.482 2.121 . . . . 0.0 113.191 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -61.22 -41.98 97.8 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.615 -0.678 . . . . 0.0 110.033 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.12 -48.24 82.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.154 -0.966 . . . . 0.0 110.231 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -65.38 -41.28 93.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.143 -0.973 . . . . 0.0 109.639 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 13' ' ' PRO . 56.0 t -62.35 -44.55 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.385 -0.822 . . . . 0.0 109.205 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -62.92 -47.91 81.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.961 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.93 -47.04 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.038 -1.039 . . . . 0.0 109.866 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.53 -42.92 91.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.238 -0.914 . . . . 0.0 109.611 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -66.03 -38.87 89.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.489 -0.757 . . . . 0.0 109.479 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' OD2' ' NH2' ' A' ' 83' ' ' ARG . 65.2 t0 -53.5 -46.34 70.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.474 -0.766 . . . . 0.0 109.428 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.435 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 14.3 m95 -51.92 -55.55 19.51 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 0.0 109.894 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 24' ' ' LEU . 10.1 mp -62.95 -38.42 91.01 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.535 -0.728 . . . . 0.0 109.444 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.647 ' CD2' ' NH2' ' A' ' 28' ' ' ARG . 30.5 t80 -58.4 -42.04 86.24 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.302 -0.874 . . . . 0.0 109.161 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.91 -43.62 94.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 109.482 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -143.73 81.24 1.69 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.922 . . . . 0.0 109.019 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.647 ' NH2' ' CD2' ' A' ' 25' ' ' TYR . 83.3 mtt85 -61.42 -40.96 96.33 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.391 -0.818 . . . . 0.0 109.613 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -75.7 -77.18 0.13 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.506 -0.746 . . . . 0.0 110.207 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.74 62.62 0.27 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.369 -0.832 . . . . 0.0 109.781 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.4 -107.1 0.11 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.444 -0.785 . . . . 0.0 109.653 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CE2' ' NH1' ' A' ' 60' ' ' ARG . 25.7 m-85 41.64 68.75 2.4 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.711 -0.618 . . . . 0.0 110.187 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -59.82 144.24 99.48 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.637 2.225 . . . . 0.0 112.359 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 m -76.41 175.4 9.19 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.885 0.85 . . . . 0.0 110.527 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -58.93 -27.57 65.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.67 -0.643 . . . . 0.0 109.456 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.8 -41.78 97.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.314 -0.866 . . . . 0.0 109.79 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 55.4 mp0 -70.97 -38.12 72.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.848 . . . . 0.0 109.715 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.57 -45.43 94.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.103 -0.998 . . . . 0.0 109.764 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.71 -37.56 76.62 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.238 -0.914 . . . . 0.0 109.268 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.53 -44.93 92.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.382 -0.824 . . . . 0.0 109.597 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.45 -41.39 96.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.365 -0.834 . . . . 0.0 109.01 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -63.23 -35.68 81.14 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -71.18 -43.72 66.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.457 -0.777 . . . . 0.0 109.337 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.51 -43.52 85.06 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.354 -0.842 . . . . 0.0 109.803 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.6 p -95.14 168.86 10.49 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.258 -0.901 . . . . 0.0 109.682 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -93.15 10.42 31.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.614 -0.679 . . . . 0.0 109.4 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -90.69 155.28 18.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.248 -0.908 . . . . 0.0 109.982 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.6 p -76.6 165.93 24.1 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.908 0.861 . . . . 0.0 110.729 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 78.8 m -63.27 -42.4 99.12 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.492 0.663 . . . . 0.0 109.636 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.57 -42.04 95.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.201 -0.937 . . . . 0.0 109.454 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -63.15 -39.17 93.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 0.0 109.298 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.72 -44.08 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.893 . . . . 0.0 109.337 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -44.96 94.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.0 109.682 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -64.03 -41.52 97.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.384 -0.822 . . . . 0.0 109.261 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.513 ' CD1' HD11 ' A' ' 12' ' ' LEU . 72.1 t90 -66.41 -38.45 87.49 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.617 0.722 . . . . 0.0 109.257 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -60.71 -46.29 90.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.402 -0.811 . . . . 0.0 109.96 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.72 -49.59 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.271 -0.893 . . . . 0.0 110.125 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.646 HD21 ' NH2' ' A' ' 62' ' ' ARG . 27.0 t-20 -69.0 -42.24 76.73 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.305 -0.872 . . . . 0.0 110.253 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.488 ' CB ' ' CZ3' ' A' ' 55' ' ' TRP . . . -67.05 -39.18 86.88 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.432 -0.792 . . . . 0.0 110.181 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.603 ' NH1' ' CE2' ' A' ' 32' ' ' TYR . 62.5 ttp180 -64.68 -43.81 92.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 109.837 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -80.95 -10.35 59.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.481 -0.762 . . . . 0.0 110.249 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.646 ' NH2' HD21 ' A' ' 58' ' ' ASN . 44.9 ttm180 -103.65 -26.34 12.82 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.249 -0.907 . . . . 0.0 109.954 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.3 mt -87.19 -48.28 8.17 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.085 -1.009 . . . . 0.0 111.218 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.409 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.2 mp -49.21 -50.82 61.75 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.152 -0.967 . . . . 0.0 111.322 -178.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 32.3 Cg_exo -54.45 -47.09 28.77 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 121.534 1.49 . . . . 0.0 111.902 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.22 -46.59 32.93 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.651 -0.656 . . . . 0.0 110.594 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 19.9 mmt -63.81 -43.31 96.66 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.28 -0.887 . . . . 0.0 110.213 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.4 mt -64.56 -42.44 95.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.209 -0.932 . . . . 0.0 109.824 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -75.35 -24.64 57.35 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.433 -0.792 . . . . 0.0 109.403 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.1 -45.52 91.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.832 . . . . 0.0 109.694 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -136.18 -39.22 0.68 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.466 -0.771 . . . . 0.0 109.188 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.99 13.76 72.83 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -88.42 162.27 16.59 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.373 -1.075 . . . . 0.0 110.228 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 74' ' ' ASP . 11.4 t70 -134.14 68.47 74.03 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.517 -0.74 . . . . 0.0 109.196 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.427 ' HG2' ' H ' ' A' ' 76' ' ' ASN . 64.3 Cg_endo -79.27 -76.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.904 2.403 . . . . 0.0 112.303 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.427 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 96.2 m-20 -73.71 110.19 7.8 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.485 -0.759 . . . . 0.0 109.886 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.406 ' NE2' ' OD2' ' A' ' 74' ' ' ASP . 5.1 tp-100 -129.92 61.97 1.56 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 79' ' ' THR . 21.6 t80 -85.87 143.34 28.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.529 -0.732 . . . . 0.0 110.08 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.473 ' OG1' ' N ' ' A' ' 80' ' ' ILE . 71.8 p -43.38 -96.25 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.531 -0.731 . . . . 0.0 110.519 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.473 ' N ' ' OG1' ' A' ' 79' ' ' THR . 96.9 mt -101.97 -35.62 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.262 -0.899 . . . . 0.0 108.853 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 t 48.94 81.03 0.06 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.645 0.736 . . . . 0.0 109.601 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -95.88 124.15 39.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.413 -0.804 . . . . 0.0 109.929 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.477 ' NH2' ' OD2' ' A' ' 22' ' ' ASP . 95.9 mtt-85 -67.14 -37.89 84.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.623 -0.673 . . . . 0.0 109.333 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.517 ' C ' ' H ' ' A' ' 86' ' ' LYS . . . 91.06 -67.26 2.38 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.671 -1.371 . . . . 0.0 109.671 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 55.38 4.11 0.09 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.463 -1.022 . . . . 0.0 109.49 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' A' ' 84' ' ' GLY . 38.7 ttpt -83.35 140.01 32.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 110.151 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' A' ' 88' ' ' SER . 96.6 mt -79.35 130.81 35.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.419 -0.8 . . . . 0.0 110.401 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 87' ' ' ILE . 3.3 p 75.58 135.92 0.06 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.775 0.797 . . . . 0.0 110.331 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 . . . . . 0 C--N 1.304 -1.381 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.478 -179.819 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptm . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.4 0.619 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.95 175.13 50.23 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -87.3 133.21 33.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.337 -1.096 . . . . 0.0 109.967 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -66.3 -39.09 89.1 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.383 -0.823 . . . . 0.0 109.813 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -60.66 -44.97 95.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.135 -0.978 . . . . 0.0 110.049 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -167.63 125.84 1.25 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.001 -1.062 . . . . 0.0 109.768 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -78.56 162.32 26.38 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.518 -0.739 . . . . 0.0 110.064 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -134.86 140.34 45.74 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.344 -0.848 . . . . 0.0 110.067 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -165.72 127.51 1.97 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.367 -0.833 . . . . 0.0 109.26 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -61.09 -41.91 97.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.128 -0.982 . . . . 0.0 109.764 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.92 -118.24 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.106 -0.996 . . . . 0.0 109.607 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.6 mt -85.38 151.52 56.45 Favored Pre-proline 0 N--CA 1.488 1.425 0 O-C-N 121.276 -0.89 . . . . 0.0 108.896 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -43.57 146.43 1.34 Allowed 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.044 1.83 . . . . 0.0 112.69 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.95 -38.8 89.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.492 -0.755 . . . . 0.0 109.838 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -58.23 -48.17 81.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.248 -0.907 . . . . 0.0 109.838 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -65.45 -40.06 92.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 109.45 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.4 t -66.32 -42.4 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.485 -0.759 . . . . 0.0 109.645 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -56.68 -43.78 80.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.869 . . . . 0.0 109.748 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.55 -44.7 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.144 -0.973 . . . . 0.0 109.453 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.83 -42.24 90.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.365 -0.834 . . . . 0.0 109.96 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -65.72 -41.49 92.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 109.868 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -60.29 -36.13 77.16 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.345 -0.847 . . . . 0.0 109.399 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.529 ' CE2' ' OE2' ' A' ' 37' ' ' GLU . 49.7 t90 -60.51 -45.31 94.29 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.411 -0.806 . . . . 0.0 109.61 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ARG . 6.5 mp -65.3 -45.02 86.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 0.0 110.097 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -64.33 -44.94 89.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 109.415 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.91 -32.11 70.25 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.542 -0.724 . . . . 0.0 109.766 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -134.43 58.33 1.77 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.565 -0.709 . . . . 0.0 109.503 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 24' ' ' LEU . 37.7 ptt-85 -68.05 -41.3 82.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 109.207 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.467 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 79.0 t80 -70.15 -43.45 70.87 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.425 -0.797 . . . . 0.0 109.534 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -91.01 42.46 1.1 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.427 -0.796 . . . . 0.0 108.876 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' CB ' HH12 ' A' ' 60' ' ' ARG . . . -91.67 78.79 5.48 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.435 -0.791 . . . . 0.0 108.981 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 21.2 p90 -112.95 96.77 39.54 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.407 -0.808 . . . . 0.0 108.82 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -52.51 136.94 57.63 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.11 1.873 . . . . 0.0 112.65 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 p -159.13 163.89 35.72 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.413 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -68.12 -37.03 80.68 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.439 -0.788 . . . . 0.0 109.429 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 37' ' ' GLU . 16.9 pt20 -65.27 -42.12 93.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.244 -0.91 . . . . 0.0 109.638 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.529 ' OE2' ' CE2' ' A' ' 23' ' ' TRP . 47.0 tp10 -69.95 -47.16 63.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.48 -0.762 . . . . 0.0 109.629 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.35 -38.6 91.61 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.477 -0.764 . . . . 0.0 109.513 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.7 82.63 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.303 -0.873 . . . . 0.0 109.331 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.45 -43.56 97.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.297 -0.877 . . . . 0.0 109.29 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.0 -41.11 97.59 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.553 -0.717 . . . . 0.0 109.455 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 m -60.72 -37.04 80.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.381 -0.824 . . . . 0.0 109.674 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -65.04 -40.41 94.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.112 -0.993 . . . . 0.0 109.691 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -63.94 -40.58 96.78 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.406 -0.809 . . . . 0.0 110.081 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.6 p -100.09 169.9 8.85 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.351 -0.843 . . . . 0.0 109.781 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -99.54 31.7 3.07 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.8 mt -108.86 153.77 23.05 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.552 -0.717 . . . . 0.0 109.321 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.6 p -76.45 167.0 22.62 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.755 0.788 . . . . 0.0 111.214 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -62.41 -40.42 96.48 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.378 0.608 . . . . 0.0 109.788 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.35 -42.51 91.69 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.21 -0.931 . . . . 0.0 109.569 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -65.2 -41.99 93.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.17 -0.956 . . . . 0.0 109.863 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.35 -44.33 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 0.0 109.824 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.0 t -59.37 -43.04 92.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.162 -0.962 . . . . 0.0 109.843 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -64.03 -40.59 96.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.272 -0.893 . . . . 0.0 109.642 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -62.29 -41.59 98.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 0.0 109.972 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -62.82 -43.06 99.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.164 -0.96 . . . . 0.0 109.876 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.0 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.181 -0.949 . . . . 0.0 110.096 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -77.89 -49.95 13.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.03 -1.044 . . . . 0.0 110.341 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.51 86.76 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.496 -0.753 . . . . 0.0 110.231 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.517 HH12 ' CB ' ' A' ' 31' ' ' ALA . 64.5 ttm-85 -63.16 -42.45 99.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.157 -0.965 . . . . 0.0 109.748 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.2 tpt85 -65.42 -16.67 63.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.447 -0.783 . . . . 0.0 110.417 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -114.1 -6.63 13.08 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.301 -0.875 . . . . 0.0 110.182 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.9 mt -113.75 -61.98 1.66 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.158 -0.964 . . . . 0.0 111.013 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD23 ' HG3' ' A' ' 60' ' ' ARG . 1.2 mm? -43.68 -53.99 11.3 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.359 -0.838 . . . . 0.0 110.746 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.28 -46.53 25.67 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 121.417 1.411 . . . . 0.0 111.804 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.82 -46.48 81.82 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.518 -0.739 . . . . 0.0 110.083 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 84.8 mmm -65.13 -44.05 89.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.448 -0.783 . . . . 0.0 110.111 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.44 HD11 HD12 ' A' ' 64' ' ' LEU . 76.0 mt -65.48 -41.39 93.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.185 -0.947 . . . . 0.0 110.108 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -65.89 -44.19 86.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.108 -0.995 . . . . 0.0 109.938 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -70.76 -49.79 42.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.147 -0.97 . . . . 0.0 109.721 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 73' ' ' LYS . 99.1 m-20 -66.04 -42.9 88.95 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.362 -0.836 . . . . 0.0 109.486 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.32 59.01 8.91 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 71' ' ' ASP . 24.2 pttm -129.23 48.76 2.32 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.51 -0.994 . . . . 0.0 109.154 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 61.35 151.71 0.1 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.684 -0.635 . . . . 0.0 109.715 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.51 142.6 78.79 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.327 2.018 . . . . 0.0 112.01 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 29' ' ' TYR . 64.3 t30 -93.68 -178.48 4.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.372 -0.83 . . . . 0.0 109.99 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.461 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 58.9 tt0 -80.79 108.9 14.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.436 -0.79 . . . . 0.0 109.886 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -108.84 8.12 26.46 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.2 m -63.1 129.03 38.56 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.308 -0.87 . . . . 0.0 109.819 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.7 pt -92.56 133.01 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.305 -0.872 . . . . 0.0 109.929 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 t -84.63 -5.77 59.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.377 -0.827 . . . . 0.0 109.554 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -96.73 -170.93 2.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.299 -0.876 . . . . 0.0 110.395 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -78.12 140.03 39.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.418 -0.801 . . . . 0.0 110.321 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 85' ' ' ALA . . . -89.24 139.43 15.21 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . 49.73 176.37 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.749 -0.853 . . . . 0.0 110.783 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -95.41 -8.45 35.52 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.443 ' O ' ' O ' ' A' ' 88' ' ' SER . 96.6 mt -88.99 -77.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.318 -0.864 . . . . 0.0 109.736 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 87' ' ' ILE . 16.1 m 50.12 101.58 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.48 -0.763 . . . . 0.0 109.819 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.5 ' OE1' ' N ' ' A' ' 89' ' ' GLU . 57.2 mp0 . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.61 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.62 157.9 51.67 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -65.43 -43.48 90.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.499 -1.001 . . . . 0.0 109.865 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -134.82 128.94 33.72 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.344 -0.847 . . . . 0.0 109.874 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -66.54 -45.12 80.46 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.407 -0.808 . . . . 0.0 109.908 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -102.57 -97.3 0.29 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.343 -0.848 . . . . 0.0 109.504 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -168.64 127.68 1.12 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.191 -0.943 . . . . 0.0 109.683 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.7 t60 40.85 90.41 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.645 -0.66 . . . . 0.0 110.196 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -71.06 149.17 46.81 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.578 -0.701 . . . . 0.0 109.533 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -126.9 124.25 39.1 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.583 -0.698 . . . . 0.0 109.316 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.2 ttt -162.34 125.06 2.87 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.184 -0.948 . . . . 0.0 108.827 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.495 HD22 HD13 ' A' ' 47' ' ' LEU . 25.6 mt -82.0 150.18 64.56 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.103 -0.998 . . . . 0.0 109.785 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . 49.1 Cg_endo -67.06 165.65 25.67 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.608 2.205 . . . . 0.0 112.744 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -59.55 -38.9 82.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.744 -0.598 . . . . 0.0 109.581 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -58.07 -54.52 45.97 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 109.466 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -62.89 -41.54 99.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 13' ' ' PRO . 71.8 t -63.93 -43.29 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.438 -0.788 . . . . 0.0 109.938 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -57.19 -46.38 82.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.088 -1.007 . . . . 0.0 109.82 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.67 -45.32 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.988 . . . . 0.0 109.773 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.45 -40.45 93.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.377 -0.827 . . . . 0.0 109.457 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.39 -42.98 97.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.366 -0.834 . . . . 0.0 109.559 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -59.06 -48.15 82.64 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.246 -0.909 . . . . 0.0 109.252 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -64.59 -41.33 96.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.359 -0.838 . . . . 0.0 109.657 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.09 -43.28 99.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.2 -0.937 . . . . 0.0 109.739 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.22 -44.83 96.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.885 . . . . 0.0 109.539 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.44 -37.82 83.59 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.299 -0.875 . . . . 0.0 109.812 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -100.02 24.23 8.83 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.355 -0.841 . . . . 0.0 109.155 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.405 HH12 ' HE3' ' A' ' 67' ' ' MET . 62.3 ttp180 -61.07 -45.96 92.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.337 -0.852 . . . . 0.0 109.393 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -78.37 -34.2 48.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.47 -0.769 . . . . 0.0 109.687 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 31' ' ' ALA . 11.8 m120 -94.59 20.2 8.82 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.426 -0.796 . . . . 0.0 109.243 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . -37.31 114.84 0.35 Allowed 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 121.346 0.594 . . . . 0.0 110.506 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.552 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 1.1 p90 -160.63 46.7 0.21 Allowed Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.353 -0.842 . . . . 0.0 109.599 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 32' ' ' TYR . 21.4 Cg_endo -60.27 82.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.266 1.978 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 p -89.64 -170.88 2.99 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.681 0.753 . . . . 0.0 110.451 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.52 ' OE2' ' NH1' ' A' ' 83' ' ' ARG . 80.1 mm-40 -58.39 -42.84 87.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.721 -0.612 . . . . 0.0 109.897 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -69.78 -41.63 74.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.157 -0.965 . . . . 0.0 110.086 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -65.51 -43.58 89.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.312 -0.867 . . . . 0.0 109.775 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.591 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 86.3 mttt -63.1 -40.74 98.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.289 -0.882 . . . . 0.0 109.726 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.3 97.19 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.042 -1.036 . . . . 0.0 109.605 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.7 tt -63.0 -48.54 78.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.261 -0.899 . . . . 0.0 109.349 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.2 -41.28 94.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.667 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' HIS . 67.4 m -59.97 -41.96 93.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.325 -0.859 . . . . 0.0 109.645 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -65.04 -39.37 93.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 0.0 109.694 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.01 -39.82 94.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.8 p -93.32 -6.47 47.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.279 -0.888 . . . . 0.0 108.787 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 42' ' ' SER . 54.5 t-80 59.47 20.97 9.38 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.495 HD13 HD22 ' A' ' 12' ' ' LEU . 93.3 mt -94.73 164.39 12.96 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.292 -0.88 . . . . 0.0 109.744 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -75.86 154.63 35.97 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.47 -0.769 . . . . 0.0 110.157 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 m -62.09 -41.03 97.77 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -60.63 -42.96 97.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.388 -0.82 . . . . 0.0 108.982 -178.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.04 -40.94 99.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.83 -43.92 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 0.0 109.63 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.591 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 1.1 t -55.99 -52.28 64.74 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.274 -0.891 . . . . 0.0 109.959 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' ND2' ' CD1' ' A' ' 50' ' ' LEU . 13.3 m-80 -63.44 -41.53 98.66 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.848 . . . . 0.0 109.473 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.65 -41.83 95.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.94 -43.22 98.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.888 . . . . 0.0 110.025 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.31 -49.99 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.166 -0.959 . . . . 0.0 110.311 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.629 ' ND2' ' N ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -77.62 -40.92 40.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.979 -1.076 . . . . 0.0 109.795 -179.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.629 ' N ' ' ND2' ' A' ' 58' ' ' ASN . . . -59.26 -48.16 82.67 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.33 -0.857 . . . . 0.0 109.495 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -62.7 -44.62 95.77 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.275 -0.891 . . . . 0.0 109.806 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -68.19 -10.17 52.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 0.0 109.973 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -108.17 -26.63 10.5 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.435 -0.79 . . . . 0.0 110.223 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' LEU . 94.8 mt -96.72 -62.76 1.22 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.114 -0.991 . . . . 0.0 111.349 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -39.78 -59.51 1.69 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.626 -0.671 . . . . 0.0 111.517 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -37.72 -51.78 1.74 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.823 1.682 . . . . 0.0 112.562 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -63.59 -49.17 74.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.835 . . . . 0.0 110.228 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.405 ' HE3' HH12 ' A' ' 28' ' ' ARG . 90.6 mmm -65.11 -38.89 92.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.934 . . . . 0.0 109.911 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.89 -42.87 99.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.425 -0.797 . . . . 0.0 109.67 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -66.32 -38.49 87.8 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 109.378 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -63.82 -47.88 79.03 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.361 -0.837 . . . . 0.0 110.198 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -96.16 10.94 36.1 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.179 -0.95 . . . . 0.0 109.337 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.43 141.87 4.02 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.76 136.01 57.86 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.375 -1.074 . . . . 0.0 110.192 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -172.55 68.63 0.4 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.605 -0.684 . . . . 0.0 109.197 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.41 -42.7 63.48 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.435 2.09 . . . . 0.0 111.39 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.575 ' O ' ' N ' ' A' ' 78' ' ' PHE . 13.0 m120 53.5 33.66 16.62 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' PHE . 12.5 pt20 37.73 23.39 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 CA-C-O 120.964 0.412 . . . . 0.0 110.545 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 76' ' ' ASN . 89.2 m-85 36.04 -111.05 0.07 Allowed 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.311 0.577 . . . . 0.0 110.657 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 42.2 p -148.33 -93.2 0.08 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.3 -0.875 . . . . 0.0 109.298 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.0 pt -82.28 147.09 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.456 -0.777 . . . . 0.0 110.385 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 p -65.19 150.27 48.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.443 -0.786 . . . . 0.0 109.737 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.2 165.37 14.5 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.426 -0.796 . . . . 0.0 109.775 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.52 ' NH1' ' OE2' ' A' ' 35' ' ' GLU . 84.3 mtp180 -87.88 6.6 34.73 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.57 160.22 14.6 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 110.185 -1.166 . . . . 0.0 110.185 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.18 139.59 58.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.685 -0.891 . . . . 0.0 110.227 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -96.27 4.54 52.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.346 -0.846 . . . . 0.0 109.007 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 89' ' ' GLU . 25.2 mm -69.26 -76.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.459 -0.776 . . . . 0.0 109.481 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.2 m 43.0 30.23 0.24 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.538 -0.726 . . . . 0.0 109.862 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' H ' HG22 ' A' ' 87' ' ' ILE . 47.9 tp10 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.015 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.0 ttp . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.63 -171.32 35.86 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -80.38 -10.66 59.75 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.525 -0.985 . . . . 0.0 109.54 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -70.77 128.92 37.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.415 -0.803 . . . . 0.0 110.022 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -135.58 138.38 42.91 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.321 -0.862 . . . . 0.0 109.568 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -83.73 133.03 34.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.509 -0.744 . . . . 0.0 109.917 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.55 ' H ' ' CD2' ' A' ' 7' ' ' HIS . 10.1 p80 -88.22 -172.45 3.8 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.327 -0.858 . . . . 0.0 110.247 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -149.19 150.24 32.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.322 -0.861 . . . . 0.0 109.869 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -74.0 152.09 40.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.458 -0.776 . . . . 0.0 110.171 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -75.98 131.03 39.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.802 . . . . 0.0 110.148 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.5 ptm -49.79 178.38 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.606 0.717 . . . . 0.0 110.651 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.64 159.31 85.67 Favored Pre-proline 0 N--CA 1.488 1.457 0 O-C-N 121.603 -0.685 . . . . 0.0 110.233 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.76 151.44 19.61 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 C-N-CA 122.582 2.188 . . . . 0.0 113.299 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.21 -37.3 79.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.787 -0.57 . . . . 0.0 109.537 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.82 -51.21 70.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.297 -0.877 . . . . 0.0 109.772 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.8 m -63.23 -42.83 99.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.87 . . . . 0.0 109.7 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.5 t -64.76 -42.33 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.629 -0.669 . . . . 0.0 109.616 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -55.65 -47.2 77.07 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.917 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.1 -44.81 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.234 -0.916 . . . . 0.0 109.863 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.57 -42.56 95.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.421 -0.799 . . . . 0.0 109.94 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -66.69 -41.59 87.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.369 -0.832 . . . . 0.0 109.435 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.12 -47.48 85.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 0.0 109.745 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.62 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 70.6 t-105 -64.03 -47.62 79.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.41 -0.806 . . . . 0.0 109.815 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.62 -40.38 95.38 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.347 -0.846 . . . . 0.0 109.72 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.471 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 86.9 t80 -58.91 -43.77 91.15 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.429 -0.794 . . . . 0.0 109.887 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.38 -37.14 82.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.191 -0.943 . . . . 0.0 109.683 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.62 ' CE1' ' CE2' ' A' ' 23' ' ' TRP . 46.6 m80 -81.04 -69.38 0.61 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.325 -0.859 . . . . 0.0 109.985 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' NE ' ' O ' ' A' ' 25' ' ' TYR . 83.5 mtm180 54.97 -76.61 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.596 -0.69 . . . . 0.0 110.627 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.578 ' N ' ' O ' ' A' ' 27' ' ' HIS . 98.2 m-85 -59.86 -43.93 94.4 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.195 -0.941 . . . . 0.0 110.081 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ALA . 98.8 m-20 -83.46 -106.09 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 0.0 110.083 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . 41.39 45.78 2.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.687 -0.633 . . . . 0.0 109.447 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -90.7 146.33 33.9 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.461 -0.775 . . . . 0.0 109.417 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -37.21 108.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.659 2.239 . . . . 0.0 112.822 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.5 p -151.73 140.15 20.52 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 109.635 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.12 -34.98 75.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.458 -0.776 . . . . 0.0 109.442 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -62.29 -42.38 99.3 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.477 -0.764 . . . . 0.0 109.657 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.22 -44.25 79.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.357 -0.839 . . . . 0.0 109.731 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.557 ' CE ' ' SG ' ' A' ' 53' ' ' CYS . 54.7 mtpt -64.56 -40.54 95.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.476 -0.765 . . . . 0.0 109.555 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.59 95.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.432 -0.792 . . . . 0.0 109.904 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.5 tt -63.46 -55.85 20.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 109.588 -179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.0 mp -64.08 -41.5 97.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.428 -0.795 . . . . 0.0 110.138 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -60.31 -43.62 96.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.223 -0.923 . . . . 0.0 109.44 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -75.82 -34.31 60.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.282 -0.886 . . . . 0.0 109.458 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.02 -40.31 94.67 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.396 -0.815 . . . . 0.0 109.491 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.6 p -98.96 165.41 11.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.349 -0.844 . . . . 0.0 109.408 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 46' ' ' HIS . 86.4 t60 -89.96 26.19 1.9 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.625 -0.672 . . . . 0.0 109.406 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.0 mt -109.74 149.68 29.43 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.328 -0.857 . . . . 0.0 109.8 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.0 m -73.34 161.17 30.78 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.705 0.764 . . . . 0.0 110.388 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.466 ' O ' ' SG ' ' A' ' 53' ' ' CYS . 10.7 m -61.72 -40.8 96.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.632 -0.668 . . . . 0.0 109.67 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 50' ' ' LEU . 4.5 tt -59.02 -45.39 90.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.167 -0.958 . . . . 0.0 109.495 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.19 -41.88 99.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 109.489 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.82 -41.86 91.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.355 -0.841 . . . . 0.0 109.528 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.557 ' SG ' ' CE ' ' A' ' 38' ' ' LYS . 75.2 m -53.46 -50.54 65.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 110.055 -179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASN . 6.4 m120 -63.62 -42.77 98.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.288 -0.882 . . . . 0.0 109.484 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.466 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 84.2 t90 -63.86 -40.53 96.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.55 -0.719 . . . . 0.0 109.726 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -62.13 -42.81 99.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.477 -0.764 . . . . 0.0 110.191 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.47 -48.02 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.334 -0.854 . . . . 0.0 110.274 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.659 HD22 ' N ' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -78.2 -41.17 35.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.186 -0.947 . . . . 0.0 109.801 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.659 ' N ' HD22 ' A' ' 58' ' ' ASN . . . -60.53 -48.21 82.77 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.442 -0.787 . . . . 0.0 110.124 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -65.54 -42.51 91.85 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.354 -0.841 . . . . 0.0 109.517 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -73.86 -4.59 35.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.554 -0.717 . . . . 0.0 109.951 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -118.05 -18.58 9.38 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.453 -0.78 . . . . 0.0 109.776 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.9 mt -102.31 -59.12 1.76 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.107 -0.996 . . . . 0.0 111.332 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mp -47.71 -51.7 43.77 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.284 -0.885 . . . . 0.0 111.171 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -51.42 -45.39 37.74 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 121.42 1.413 . . . . 0.0 112.332 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.73 -51.71 57.03 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.301 -0.875 . . . . 0.0 110.508 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 73.9 mtm -67.16 -40.42 86.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.323 -0.861 . . . . 0.0 110.219 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.36 -43.1 98.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 0.0 110.062 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -64.11 -43.75 94.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.271 -0.893 . . . . 0.0 109.663 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -66.96 -42.82 84.54 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.322 -0.861 . . . . 0.0 110.007 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -91.08 8.99 32.75 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.238 -0.914 . . . . 0.0 109.468 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.17 107.98 0.87 Allowed Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -81.2 179.31 7.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.391 -1.064 . . . . 0.0 110.292 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.593 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 0.0 OUTLIER 179.02 -43.74 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 74' ' ' ASP . 21.8 Cg_exo -61.91 153.71 66.53 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.595 2.197 . . . . 0.0 112.668 -178.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLN . 44.3 p30 -63.8 -10.85 22.33 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' ASN . 36.8 mt-30 41.82 27.9 0.08 Allowed 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.489 0.662 . . . . 0.0 110.169 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' ASN . 83.5 m-85 44.78 -108.06 0.13 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.603 -0.686 . . . . 0.0 110.315 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.71 123.0 44.29 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.232 -0.917 . . . . 0.0 109.476 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 80' ' ' ILE . 20.5 tt -94.38 130.28 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.476 -0.765 . . . . 0.0 110.195 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 t 170.95 115.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.418 -0.801 . . . . 0.0 108.951 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -89.49 128.44 35.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.908 . . . . 0.0 109.449 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.456 ' HE ' ' HB2' ' A' ' 58' ' ' ASN . 72.5 ttp85 -88.79 134.18 34.01 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.333 -0.854 . . . . 0.0 110.376 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 54.42 -94.91 0.02 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 59.17 29.68 19.29 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.566 -0.961 . . . . 0.0 109.042 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -65.79 134.53 53.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.44 -0.787 . . . . 0.0 110.247 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.5 mt -85.99 -77.56 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.5 -0.75 . . . . 0.0 109.588 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 p -163.65 126.38 2.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.323 -0.86 . . . . 0.0 109.547 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.169 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mmm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.683 0.754 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.67 150.69 50.91 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 4' ' ' HIS . 43.2 p-80 -153.93 150.23 28.11 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.661 -0.905 . . . . 0.0 110.085 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 3' ' ' HIS . 95.6 m-70 41.85 95.38 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.87 0.843 . . . . 0.0 110.363 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -77.01 148.1 36.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.641 -0.662 . . . . 0.0 110.292 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -121.78 160.73 24.0 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.69 0.757 . . . . 0.0 110.39 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 60.93 -172.51 0.14 Allowed 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.652 0.739 . . . . 0.0 110.931 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -98.62 101.28 12.66 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.792 0.806 . . . . 0.0 109.427 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 11' ' ' MET . 48.4 t -76.68 151.63 36.06 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.776 -0.578 . . . . 0.0 109.901 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.9 t60 58.3 -72.1 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.661 0.743 . . . . 0.0 110.034 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.589 ' N ' ' O ' ' A' ' 9' ' ' SER . 50.7 ttp -54.79 136.85 45.97 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 122.047 0.927 . . . . 0.0 110.674 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -86.09 158.01 56.13 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 121.681 -0.637 . . . . 0.0 109.385 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -48.69 151.63 5.01 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.146 1.897 . . . . 0.0 112.47 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -61.98 -40.51 95.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.609 -0.682 . . . . 0.0 109.636 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.07 -51.67 62.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.498 -0.751 . . . . 0.0 110.076 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -63.19 -42.17 99.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.449 -0.782 . . . . 0.0 110.11 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.04 -44.59 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.507 -0.746 . . . . 0.0 109.908 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -55.61 -44.63 77.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.46 -0.775 . . . . 0.0 109.964 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.58 -43.5 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.266 -0.896 . . . . 0.0 109.476 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.08 -41.29 97.37 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.446 -0.784 . . . . 0.0 109.935 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -62.72 -40.04 95.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.522 -0.736 . . . . 0.0 109.726 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.5 -41.72 98.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.359 -0.838 . . . . 0.0 109.697 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.625 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.8 t-105 -66.98 -41.25 87.12 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.643 0.735 . . . . 0.0 109.57 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -63.34 -43.2 98.4 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.618 0.723 . . . . 0.0 109.955 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.16 -42.62 99.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.447 -0.783 . . . . 0.0 109.878 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.14 -39.59 78.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.493 -0.754 . . . . 0.0 110.059 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.625 ' CD2' ' CE2' ' A' ' 23' ' ' TRP . 95.7 m-70 -95.2 27.96 3.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.362 -0.836 . . . . 0.0 109.121 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.513 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 17.1 ptm180 -67.78 -37.71 82.41 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.581 0.705 . . . . 0.0 109.637 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.64 -9.96 56.49 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.389 -0.819 . . . . 0.0 109.398 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 31' ' ' ALA . 96.4 m-20 -93.96 -58.89 2.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.45 -0.781 . . . . 0.0 109.162 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 40.99 96.45 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.784 0.802 . . . . 0.0 110.378 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.526 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 11.8 p90 -159.27 70.82 3.43 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.548 -0.72 . . . . 0.0 109.554 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.94 135.43 68.38 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.891 2.394 . . . . 0.0 112.516 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.485 ' C ' ' NH2' ' A' ' 83' ' ' ARG . 50.6 m -163.03 173.75 13.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.537 -0.727 . . . . 0.0 110.179 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -63.22 -42.11 99.21 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.55 0.691 . . . . 0.0 109.432 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -68.27 -41.46 81.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.544 -0.723 . . . . 0.0 109.47 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -67.49 -49.19 64.61 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.382 -0.824 . . . . 0.0 109.815 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -65.85 -40.34 91.63 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.395 -0.816 . . . . 0.0 109.483 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.24 93.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.519 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.4 tt -63.33 -46.55 86.09 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.925 0.869 . . . . 0.0 109.226 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.64 -40.21 95.06 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.446 -0.784 . . . . 0.0 109.557 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.1 p -62.11 -38.82 90.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.564 -0.71 . . . . 0.0 109.56 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -66.64 -39.55 88.31 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.648 0.737 . . . . 0.0 109.831 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.32 -43.89 93.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.355 -0.841 . . . . 0.0 110.053 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.9 p -99.51 169.23 9.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 110.136 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -95.93 31.44 2.12 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.1 mt -110.96 154.07 24.63 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.722 0.772 . . . . 0.0 109.846 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.8 p -75.81 166.37 23.63 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.866 0.841 . . . . 0.0 110.411 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.9 m -62.78 -42.94 99.92 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.746 0.784 . . . . 0.0 109.676 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.73 -42.06 98.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.567 -0.708 . . . . 0.0 110.087 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -64.15 -45.92 86.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.389 -0.819 . . . . 0.0 109.882 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.11 -43.11 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-O 121.534 0.683 . . . . 0.0 110.01 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 t -60.81 -44.75 96.46 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.367 -0.833 . . . . 0.0 110.515 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -63.98 -43.3 96.15 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.35 -0.844 . . . . 0.0 109.384 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -68.49 -38.36 80.92 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.801 0.81 . . . . 0.0 109.109 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -59.71 -44.45 93.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.595 -0.69 . . . . 0.0 109.883 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.29 -45.77 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.399 -0.813 . . . . 0.0 109.684 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -70.32 -46.34 64.4 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.345 -0.847 . . . . 0.0 109.907 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.51 87.85 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.51 -0.744 . . . . 0.0 110.036 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' O ' ' CB ' ' A' ' 64' ' ' LEU . 73.8 ttp85 -64.7 -43.86 92.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.497 -0.752 . . . . 0.0 109.847 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -70.22 -12.65 61.74 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.195 -0.94 . . . . 0.0 110.281 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -108.29 -23.57 11.86 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.37 -0.831 . . . . 0.0 109.866 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.6 mt -105.73 -26.62 11.72 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.167 -0.958 . . . . 0.0 110.647 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 6.4 tp -72.64 -35.21 2.94 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.207 -0.933 . . . . 0.0 111.482 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 21.7 Cg_exo -61.76 -55.39 1.13 Allowed 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.767 1.645 . . . . 0.0 111.931 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -65.53 -39.05 91.33 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.6 0.714 . . . . 0.0 109.812 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 36.7 ttm -61.81 -46.82 87.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.416 -0.802 . . . . 0.0 110.191 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -75.81 -22.53 56.24 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.341 -0.849 . . . . 0.0 109.081 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -66.25 -43.03 87.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.506 -0.746 . . . . 0.0 108.998 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -68.63 -48.76 63.24 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.646 0.736 . . . . 0.0 109.42 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.513 ' OD2' ' NH2' ' A' ' 28' ' ' ARG . 95.3 m-20 -66.47 -40.49 89.38 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.626 0.727 . . . . 0.0 109.488 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.77 -106.46 0.27 Allowed Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -171.47 109.8 0.29 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.545 -0.974 . . . . 0.0 109.877 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.519 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 38.0 m-20 -162.81 49.62 0.25 Allowed Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 74' ' ' ASP . 32.9 Cg_endo -63.68 142.53 83.86 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.793 2.329 . . . . 0.0 112.45 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -86.83 116.65 25.06 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.766 0.793 . . . . 0.0 109.94 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -73.92 -110.13 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.451 0.643 . . . . 0.0 109.89 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' A' ' 79' ' ' THR . 75.9 m-85 -104.72 5.68 33.59 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 80' ' ' ILE . 81.8 p -47.59 -96.3 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.482 -0.761 . . . . 0.0 109.65 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.467 ' N ' ' OG1' ' A' ' 79' ' ' THR . 4.0 mp -103.6 -17.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.436 -0.79 . . . . 0.0 109.099 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.0 p -75.23 164.81 26.08 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.755 0.788 . . . . 0.0 110.94 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 48.21 86.39 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 121.874 0.845 . . . . 0.0 110.055 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.485 ' NH2' ' C ' ' A' ' 34' ' ' SER . 39.5 ttm180 -61.97 -43.77 98.15 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.671 0.748 . . . . 0.0 109.28 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.18 157.33 3.29 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.97 69.38 0.76 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.618 -0.931 . . . . 0.0 109.504 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -154.44 111.14 3.31 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.0 pt -90.83 116.88 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 CA-C-O 121.802 0.811 . . . . 0.0 109.62 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.3 m -99.5 -9.94 22.72 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' A' ' 89' ' ' GLU . 56.7 mp0 . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.629 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.382 0.611 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.96 28.95 67.71 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -58.99 -42.48 90.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.124 -1.221 . . . . 0.0 109.954 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -104.29 128.95 52.14 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.352 -0.843 . . . . 0.0 109.931 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.441 ' C ' ' H ' ' A' ' 7' ' ' HIS . 25.8 t60 -85.36 7.5 22.22 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' A' ' 6' ' ' HIS . 86.8 t60 56.5 5.54 0.21 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.716 -0.615 . . . . 0.0 109.735 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.441 ' H ' ' C ' ' A' ' 5' ' ' HIS . 25.7 t-80 -86.26 125.58 33.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.044 -1.035 . . . . 0.0 109.813 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -148.06 25.67 1.01 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 t -82.37 175.92 9.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.565 -0.709 . . . . 0.0 110.379 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 58.07 -174.18 0.08 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.836 0.827 . . . . 0.0 111.179 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 97.4 mmm -75.69 154.26 36.6 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.836 0.827 . . . . 0.0 110.879 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.503 HD21 ' NE2' ' A' ' 51' ' ' GLN . 40.3 mt -52.89 151.9 7.87 Favored Pre-proline 0 C--N 1.305 -1.343 0 O-C-N 121.541 -0.724 . . . . 0.0 109.687 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -65.67 160.84 41.5 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.458 2.105 . . . . 0.0 112.514 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.05 -35.58 75.44 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.343 -0.848 . . . . 0.0 109.454 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -62.27 -55.56 27.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 109.777 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -64.12 -41.98 97.04 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 109.629 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.5 -42.84 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 109.13 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -54.79 -43.34 72.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.247 -0.908 . . . . 0.0 109.478 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.04 -46.29 94.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.09 -1.006 . . . . 0.0 109.49 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.54 -41.89 88.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.306 -0.871 . . . . 0.0 110.045 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -63.72 -40.99 98.12 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.437 -0.79 . . . . 0.0 109.526 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.97 -48.19 82.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.811 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -63.84 -45.83 87.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.143 -0.973 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.68 -41.1 98.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 0.0 109.261 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.603 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 61.1 t80 -59.52 -45.01 92.97 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.377 -0.827 . . . . 0.0 109.55 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.26 -38.29 90.57 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.378 -0.826 . . . . 0.0 109.725 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -121.26 54.8 1.09 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.603 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 19.6 ptp180 -64.55 -40.29 95.31 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.491 -0.756 . . . . 0.0 109.473 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -72.23 -77.79 0.09 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.334 -0.854 . . . . 0.0 110.231 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.525 ' CG ' HH12 ' A' ' 82' ' ' ARG . 46.4 t-20 -76.72 93.53 3.68 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.242 -0.911 . . . . 0.0 109.177 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' TYR . . . -89.12 -75.16 0.45 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.493 -0.755 . . . . 0.0 109.439 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' ALA . 72.7 m-85 39.08 75.26 0.58 Allowed Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.946 -0.471 . . . . 0.0 109.994 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -78.03 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.42 2.08 . . . . 0.0 111.599 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 p -79.94 169.56 17.72 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.38 -0.825 . . . . 0.0 110.749 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.41 -38.95 85.62 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.424 0.63 . . . . 0.0 109.734 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -71.81 -39.88 69.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.931 . . . . 0.0 109.913 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.5 -50.57 70.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.243 -0.911 . . . . 0.0 110.107 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -66.07 -31.19 71.92 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.217 -0.927 . . . . 0.0 109.431 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.49 89.86 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.302 -0.873 . . . . 0.0 109.379 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.88 -46.44 84.91 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 109.939 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.82 -36.57 82.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.286 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 46' ' ' HIS . 40.5 t -59.85 -42.64 94.06 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.368 -0.832 . . . . 0.0 109.392 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.21 -38.31 90.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.235 -0.915 . . . . 0.0 109.246 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -64.77 -40.34 95.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.309 -0.87 . . . . 0.0 109.653 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.2 p -95.49 -5.88 41.91 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.222 -0.924 . . . . 0.0 108.667 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' SER . 86.1 t60 57.02 22.84 7.71 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.691 -0.63 . . . . 0.0 109.687 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.5 mt -88.78 167.96 12.86 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.316 -0.865 . . . . 0.0 110.317 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 52' ' ' VAL . 15.8 p -76.0 154.4 35.8 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.418 -0.801 . . . . 0.0 110.613 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.9 m -62.89 -44.06 97.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.34 -0.85 . . . . 0.0 109.121 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.52 -42.93 99.84 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.398 -0.814 . . . . 0.0 109.648 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.503 ' NE2' HD21 ' A' ' 12' ' ' LEU . 64.9 tt0 -65.03 -40.96 95.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.404 -0.81 . . . . 0.0 109.847 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 48' ' ' SER . 62.2 t -64.3 -45.81 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.149 -0.969 . . . . 0.0 109.933 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.1 t -61.04 -48.63 80.88 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.222 -0.924 . . . . 0.0 110.054 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -63.4 -39.8 95.49 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.301 -0.874 . . . . 0.0 109.689 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -60.62 -40.08 90.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.847 . . . . 0.0 109.745 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.34 -45.69 93.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.168 -0.958 . . . . 0.0 109.793 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.87 -51.56 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.934 -1.104 . . . . 0.0 110.356 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -69.87 -42.12 73.91 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.101 -0.999 . . . . 0.0 110.2 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.24 92.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.261 -0.899 . . . . 0.0 109.778 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HG2' HD23 ' A' ' 64' ' ' LEU . 36.7 mtp180 -62.57 -45.87 90.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.243 -0.91 . . . . 0.0 109.898 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -62.99 -18.89 63.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.135 -0.978 . . . . 0.0 110.341 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -109.51 -9.77 14.9 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.457 -0.777 . . . . 0.0 110.186 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 64' ' ' LEU . 90.0 mt -114.09 -63.87 1.39 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.33 -0.856 . . . . 0.0 111.128 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.581 HD23 ' HG2' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -39.04 -55.04 3.06 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.712 -0.617 . . . . 0.0 111.042 -177.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -52.45 -47.47 26.89 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 120.934 1.089 . . . . 0.0 111.437 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -72.43 -40.32 67.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.576 -0.703 . . . . 0.0 110.206 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.8 -41.98 99.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.483 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.76 -41.69 95.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.228 -0.92 . . . . 0.0 109.621 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -65.31 -42.2 93.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.316 -0.865 . . . . 0.0 109.37 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.0 -48.42 80.41 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.174 -0.954 . . . . 0.0 109.659 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 73' ' ' LYS . 61.6 t0 -175.31 82.47 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.55 -0.719 . . . . 0.0 109.168 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.39 78.78 0.04 OUTLIER Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 ptpm? -96.96 149.17 22.2 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.251 -1.147 . . . . 0.0 110.403 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.53 155.46 83.6 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.434 -0.791 . . . . 0.0 109.77 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.52 139.83 60.43 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 122.945 2.43 . . . . 0.0 112.287 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.481 ' C ' ' H ' ' A' ' 78' ' ' PHE . 48.1 t-20 -175.02 -51.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -75.69 22.89 0.13 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.466 -0.771 . . . . 0.0 109.121 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.481 ' H ' ' C ' ' A' ' 76' ' ' ASN . 53.8 p90 -68.5 132.02 46.25 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.373 -0.829 . . . . 0.0 110.624 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.0 p -101.11 -17.85 16.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.452 -0.78 . . . . 0.0 109.103 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 98.3 mt -106.7 119.57 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.462 -0.774 . . . . 0.0 109.921 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.8 t -74.86 137.27 41.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.359 -0.838 . . . . 0.0 110.404 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.525 HH12 ' CG ' ' A' ' 30' ' ' ASN . 17.5 ptm180 -92.62 137.59 32.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.453 -0.779 . . . . 0.0 109.723 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -109.88 54.01 0.68 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.35 -78.17 0.93 Allowed Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.76 142.32 54.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.375 -1.073 . . . . 0.0 110.744 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -92.89 138.2 31.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.485 -0.759 . . . . 0.0 109.98 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.417 ' O ' ' O ' ' A' ' 88' ' ' SER . 7.8 tp -97.59 130.88 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.362 -0.836 . . . . 0.0 110.322 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 87' ' ' ILE . 28.8 m 49.0 102.51 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.802 0.811 . . . . 0.0 110.866 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.075 -0.964 . . . . 0.0 109.965 179.65 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.529 0.681 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.09 150.4 51.06 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -150.99 138.28 19.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -1.15 . . . . 0.0 109.421 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -121.59 -64.23 1.24 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.558 -0.714 . . . . 0.0 109.198 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -175.14 74.11 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.31 -0.869 . . . . 0.0 109.159 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -67.17 -38.53 85.6 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 109.342 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -135.94 -163.9 1.47 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.461 -0.775 . . . . 0.0 109.863 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.402 ' ND1' ' O ' ' A' ' 9' ' ' SER . 63.1 t-80 61.68 137.84 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.743 0.782 . . . . 0.0 110.239 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' ND1' ' A' ' 8' ' ' HIS . 16.5 m -71.87 152.12 42.85 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.43 -0.794 . . . . 0.0 110.406 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.43 -40.06 95.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.554 -0.716 . . . . 0.0 109.829 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 98.5 mmm -69.9 145.86 51.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -0.858 . . . . 0.0 110.398 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.556 HD11 ' CG ' ' A' ' 55' ' ' TRP . 3.8 mt -77.66 160.78 73.9 Favored Pre-proline 0 N--CA 1.487 1.387 0 O-C-N 121.482 -0.761 . . . . 0.0 109.615 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -55.1 146.22 60.19 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.837 1.691 . . . . 0.0 112.39 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -49.67 -33.33 15.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.346 -0.846 . . . . 0.0 109.844 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' OE1' ' NH2' ' A' ' 83' ' ' ARG . 79.5 mm-40 -65.01 -48.37 74.14 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.293 -0.88 . . . . 0.0 109.94 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.7 p -70.24 -32.62 70.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.129 -0.982 . . . . 0.0 109.76 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.79 -44.35 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.104 -0.998 . . . . 0.0 109.175 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.34 -46.04 88.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.199 -0.938 . . . . 0.0 109.367 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.72 -47.58 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.293 -0.879 . . . . 0.0 109.805 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.408 HD23 HD23 ' A' ' 41' ' ' LEU . 79.1 mt -67.2 -42.25 84.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -0.865 . . . . 0.0 110.096 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.525 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 58.8 ttt85 -66.45 -42.2 87.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.352 -0.842 . . . . 0.0 109.687 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.5 -47.07 87.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.355 -0.841 . . . . 0.0 110.114 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.452 ' CD1' HD11 ' A' ' 41' ' ' LEU . 86.0 t90 -57.78 -43.16 85.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 109.709 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.4 tp -63.28 -41.57 99.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.0 109.547 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.525 ' OH ' ' NH2' ' A' ' 21' ' ' ARG . 3.8 m-85 -62.03 -34.09 75.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.515 -0.741 . . . . 0.0 109.462 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.96 -37.43 81.56 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.328 -0.858 . . . . 0.0 110.169 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -125.45 66.37 1.15 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.501 -0.749 . . . . 0.0 109.426 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' ASN . 79.9 mtp85 -73.53 155.87 38.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.444 -0.785 . . . . 0.0 110.414 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.8 t80 67.19 -63.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.859 0 CA-C-O 121.272 0.558 . . . . 0.0 109.815 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ARG . 53.2 t30 -82.4 98.47 8.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.085 -1.009 . . . . 0.0 109.835 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.35 66.34 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.149 -0.969 . . . . 0.0 108.445 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -76.66 155.59 83.29 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 109.625 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.28 128.87 24.07 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.868 1.712 . . . . 0.0 112.558 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -157.62 142.03 16.3 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.266 -0.896 . . . . 0.0 109.714 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.8 -36.31 78.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.565 -0.709 . . . . 0.0 109.582 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.428 ' O ' ' OE1' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -62.82 -47.54 82.99 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.179 -0.951 . . . . 0.0 109.85 -179.416 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.576 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 36.0 mp0 -68.66 -48.07 64.93 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.246 -0.909 . . . . 0.0 109.88 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.16 -40.14 96.69 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.109 -0.995 . . . . 0.0 109.414 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.77 83.94 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.229 -0.919 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 40' ' ' LEU . 2.9 tt -62.59 -50.84 69.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -0.848 . . . . 0.0 109.65 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 23' ' ' TRP . 10.1 mp -64.76 -39.46 93.66 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.389 -0.819 . . . . 0.0 109.714 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 98.3 p -58.33 -37.78 75.81 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.251 -0.906 . . . . 0.0 109.395 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -68.53 -40.85 80.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.35 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -66.27 -46.16 77.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.375 -0.828 . . . . 0.0 109.804 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.5 p -91.25 168.82 11.32 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.316 -0.865 . . . . 0.0 109.216 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -99.27 12.33 36.54 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.431 HD13 ' NE2' ' A' ' 51' ' ' GLN . 82.5 mt -87.21 155.67 19.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 0.0 110.085 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 52' ' ' VAL . 92.4 p -75.73 160.79 29.66 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.823 0.82 . . . . 0.0 110.522 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 m -63.4 -42.9 98.79 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.0 109.363 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.6 tp -61.44 -44.44 97.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.306 -0.871 . . . . 0.0 109.492 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.431 ' NE2' HD13 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -66.1 -41.9 90.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.416 -0.803 . . . . 0.0 109.45 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 48' ' ' SER . 57.2 t -65.58 -43.04 94.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.638 -0.664 . . . . 0.0 109.354 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -56.87 -44.03 81.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.327 -0.858 . . . . 0.0 109.722 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -63.81 -43.92 94.83 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.319 -0.863 . . . . 0.0 109.823 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.556 ' CG ' HD11 ' A' ' 12' ' ' LEU . 81.6 t90 -70.37 -38.43 74.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 0.0 109.801 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -59.85 -46.41 89.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.869 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.77 -45.58 94.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.125 -0.985 . . . . 0.0 109.757 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -67.81 -40.37 83.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.352 -0.842 . . . . 0.0 109.862 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.24 86.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.426 -0.796 . . . . 0.0 110.365 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -62.71 -44.85 95.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.176 -0.953 . . . . 0.0 110.274 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -67.82 -17.1 64.4 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.223 -0.923 . . . . 0.0 110.171 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 tpt85 -104.35 -21.94 13.42 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.442 -0.786 . . . . 0.0 110.092 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' LEU . 82.9 mt -95.77 -66.12 0.93 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.19 -0.944 . . . . 0.0 111.019 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 6.1 mp -36.58 -64.27 0.39 Allowed Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 121.759 -0.588 . . . . 0.0 111.27 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 16.1 Cg_endo -56.46 -47.79 22.24 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 121.893 1.729 . . . . 0.0 112.32 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.491 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 80.3 m-20 -64.86 -47.1 79.13 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.529 -0.732 . . . . 0.0 110.456 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.499 ' CE ' HH22 ' A' ' 21' ' ' ARG . 15.9 mmt -68.02 -41.98 81.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.059 -1.026 . . . . 0.0 110.09 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.8 mt -63.86 -43.32 96.47 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 109.875 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.491 ' NH2' ' OD1' ' A' ' 66' ' ' ASP . 89.8 mtm180 -71.1 -29.54 65.41 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.382 -0.824 . . . . 0.0 109.223 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -47.59 83.38 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.44 -0.787 . . . . 0.0 110.151 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -171.67 44.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.188 -0.945 . . . . 0.0 109.326 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 42.28 67.88 0.81 Allowed Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -64.03 133.87 53.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.129 -1.218 . . . . 0.0 110.321 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.56 156.48 36.36 Favored Pre-proline 0 N--CA 1.495 1.807 0 O-C-N 121.623 -0.673 . . . . 0.0 109.504 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.56 91.19 0.13 Allowed 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 123.047 2.498 . . . . 0.0 112.112 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -72.62 139.98 47.72 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 121.875 0.845 . . . . 0.0 110.644 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -55.92 -166.23 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.819 0.819 . . . . 0.0 110.774 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 80' ' ' ILE . 95.9 m-85 -67.8 -79.53 0.05 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.598 -0.689 . . . . 0.0 109.714 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.9 m 59.29 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.485 -0.76 . . . . 0.0 110.109 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 78' ' ' PHE . 28.2 pt -87.81 132.53 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.3 -0.875 . . . . 0.0 110.544 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 83' ' ' ARG . 4.7 p -98.98 126.0 44.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.448 -0.782 . . . . 0.0 109.327 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 38.91 -89.99 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.968 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 81' ' ' SER . 63.6 ttm-85 -73.07 -78.97 0.08 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.328 -0.857 . . . . 0.0 110.097 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.53 37.43 27.25 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.34 139.2 49.25 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.3 -1.117 . . . . 0.0 110.587 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.27 142.84 29.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.401 -0.812 . . . . 0.0 110.543 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 87' ' ' ILE . 18.9 tt -151.99 126.97 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.367 -0.833 . . . . 0.0 109.588 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.3 m -73.41 150.26 41.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.476 -0.765 . . . . 0.0 110.664 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.018 -0.992 . . . . 0.0 109.89 179.694 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptp . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.601 0.715 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.97 164.47 49.76 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -136.07 145.99 46.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.451 -1.029 . . . . 0.0 109.549 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 49.1 p-80 -153.73 -143.14 0.12 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.342 -0.849 . . . . 0.0 109.661 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 4' ' ' HIS . 57.2 p-80 42.18 54.82 4.09 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.55 0.69 . . . . 0.0 109.836 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.02 97.73 9.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.426 -0.796 . . . . 0.0 109.693 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 8' ' ' HIS . 55.7 p-80 -67.7 -38.55 83.8 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.561 ' CG ' ' N ' ' A' ' 9' ' ' SER . 85.2 t60 59.26 169.32 0.07 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.765 0.793 . . . . 0.0 111.249 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.561 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 12.0 m -67.78 145.95 54.2 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.648 0.737 . . . . 0.0 110.433 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 11' ' ' MET . 83.7 t60 -81.43 155.1 26.04 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.887 0.851 . . . . 0.0 110.682 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.414 ' N ' ' CG ' ' A' ' 10' ' ' HIS . 20.8 ttm -62.14 -132.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.709 0.766 . . . . 0.0 110.469 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.81 171.67 11.72 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.377 -0.827 . . . . 0.0 109.766 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.8 147.39 95.34 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 122.733 2.289 . . . . 0.0 112.995 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -62.7 -40.3 96.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.67 -0.644 . . . . 0.0 109.783 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.72 -46.26 90.4 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.067 -1.021 . . . . 0.0 109.743 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -63.06 -43.21 99.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.13 -0.981 . . . . 0.0 109.654 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.7 t -66.25 -43.09 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.465 -0.772 . . . . 0.0 109.584 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -60.97 -44.64 97.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.844 . . . . 0.0 109.49 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.67 -45.35 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.139 -0.975 . . . . 0.0 109.659 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.485 HD23 HD22 ' A' ' 41' ' ' LEU . 13.3 mt -65.58 -41.68 92.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.424 -0.798 . . . . 0.0 109.894 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -62.99 -43.69 98.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.16 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -63.38 -47.59 81.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.497 -0.752 . . . . 0.0 109.689 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -62.0 -50.32 72.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.847 . . . . 0.0 109.568 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' ARG . 51.7 tp -64.39 -42.42 96.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.293 -0.879 . . . . 0.0 109.687 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -60.69 -48.1 83.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.399 -0.813 . . . . 0.0 109.665 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.17 -38.55 85.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.399 -0.813 . . . . 0.0 109.553 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -103.71 30.82 4.8 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.627 ' O ' HD11 ' A' ' 64' ' ' LEU . 50.4 ptt85 -61.74 -38.8 89.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.647 -0.658 . . . . 0.0 109.819 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -73.69 -16.56 61.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.275 -0.89 . . . . 0.0 109.609 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' ALA . 34.6 t30 -120.83 -97.92 0.45 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.695 -0.628 . . . . 0.0 109.691 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' ASN . . . 39.52 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.785 -0.572 . . . . 0.0 110.2 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.437 ' C ' ' H ' ' A' ' 34' ' ' SER . 5.6 m-85 -99.78 154.34 37.3 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.433 -0.792 . . . . 0.0 109.533 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.94 26.33 0.21 Allowed 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.783 2.322 . . . . 0.0 111.437 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 32' ' ' TYR . 17.5 m -71.47 154.07 41.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 0.0 110.518 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.58 -34.08 77.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.466 -0.771 . . . . 0.0 109.944 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.17 -44.24 92.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.127 -0.983 . . . . 0.0 109.405 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -68.72 -38.58 80.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.304 -0.872 . . . . 0.0 109.504 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -64.29 -40.54 96.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.23 -0.919 . . . . 0.0 109.46 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.41 94.96 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.223 -0.923 . . . . 0.0 108.955 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 40' ' ' LEU . 2.9 tt -63.3 -43.68 97.17 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 122.052 0.93 . . . . 0.0 108.86 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.485 HD22 HD23 ' A' ' 20' ' ' LEU . 97.9 mt -70.7 -40.37 72.91 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.116 -0.99 . . . . 0.0 109.448 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 m -63.13 -48.25 79.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 0.0 110.464 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -69.44 -39.4 77.82 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 109.539 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -67.39 -39.42 85.6 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.409 -0.807 . . . . 0.0 109.565 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.0 p -100.61 172.62 6.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.802 0.811 . . . . 0.0 109.704 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -96.66 9.03 42.82 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -94.09 145.51 24.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.275 -0.891 . . . . 0.0 110.015 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 m -74.23 174.12 9.22 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.761 0.791 . . . . 0.0 110.523 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -66.42 -34.08 77.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.606 -0.684 . . . . 0.0 109.637 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.83 -46.69 88.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.073 -1.017 . . . . 0.0 109.921 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.73 -39.96 73.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 109.616 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.54 -42.85 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.485 -0.759 . . . . 0.0 109.468 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.3 t -61.42 -48.89 79.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.167 -0.958 . . . . 0.0 110.186 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.81 -44.36 93.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.291 -0.88 . . . . 0.0 109.736 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.457 ' CA ' HH12 ' A' ' 83' ' ' ARG . 83.8 t90 -70.33 -41.43 73.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.482 -0.761 . . . . 0.0 109.777 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.67 -48.98 76.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.264 -0.897 . . . . 0.0 110.22 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.6 -46.13 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.161 -0.962 . . . . 0.0 109.943 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.505 HD22 HH21 ' A' ' 83' ' ' ARG . 54.5 t-20 -68.18 -41.93 80.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.372 -0.83 . . . . 0.0 109.677 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.98 -48.12 63.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.487 -0.758 . . . . 0.0 109.653 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HG3' HD23 ' A' ' 64' ' ' LEU . 73.7 ttp85 -66.41 -45.68 79.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.9 . . . . 0.0 109.792 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -65.91 -22.72 66.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.363 -0.835 . . . . 0.0 110.086 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -98.42 -23.94 15.37 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.297 -0.877 . . . . 0.0 109.863 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 64' ' ' LEU . 44.2 mt -90.18 -72.12 0.58 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.136 -0.978 . . . . 0.0 110.995 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.627 HD11 ' O ' ' A' ' 28' ' ' ARG . 3.5 mm? -28.92 -64.31 0.18 Allowed Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.893 -0.505 . . . . 0.0 112.204 -178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 13.4 Cg_endo -57.31 -55.47 2.51 Favored 'Trans proline' 0 C--N 1.303 -1.822 0 C-N-CA 121.654 1.569 . . . . 0.0 112.399 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.69 -43.64 96.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.54 -0.725 . . . . 0.0 110.802 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 51.4 ttm -57.81 -48.5 79.56 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.218 -0.926 . . . . 0.0 109.497 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.12 -42.14 89.58 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.185 -0.947 . . . . 0.0 109.941 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -72.35 -18.97 61.71 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.417 -0.802 . . . . 0.0 109.175 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -70.33 -56.97 5.41 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.237 -0.914 . . . . 0.0 109.548 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 71' ' ' ASP . 62.4 t0 -174.26 30.31 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.561 -0.712 . . . . 0.0 109.411 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.99 105.83 0.01 OUTLIER Glycine 0 N--CA 1.494 2.556 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.089 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 tttt 59.35 89.81 0.06 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.619 -0.93 . . . . 0.0 109.931 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -114.04 97.11 44.21 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -51.74 -36.67 62.92 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.331 2.021 . . . . 0.0 111.727 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -82.87 109.8 17.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.494 -0.754 . . . . 0.0 109.664 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -157.03 114.75 3.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 109.061 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -100.06 142.86 30.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.436 -0.79 . . . . 0.0 110.206 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 p -70.64 139.45 51.33 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.578 0.704 . . . . 0.0 110.7 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.0 tt -145.96 21.56 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.0 t -60.37 140.98 56.89 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.283 -0.885 . . . . 0.0 109.927 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -85.86 116.31 24.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.506 -0.746 . . . . 0.0 109.915 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.505 HH21 HD22 ' A' ' 58' ' ' ASN . 13.2 ptp180 178.88 -18.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.27 38.25 0.44 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.537 ' C ' ' H ' ' A' ' 87' ' ' ILE . . . -82.05 0.89 38.38 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.025 -1.279 . . . . 0.0 108.877 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.8 tttm 65.81 -12.52 0.17 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.738 -0.601 . . . . 0.0 109.952 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.537 ' H ' ' C ' ' A' ' 85' ' ' ALA . 95.7 mt -109.58 125.45 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.435 -0.791 . . . . 0.0 109.825 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ILE . 2.4 t 39.28 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.495 0.664 . . . . 0.0 110.22 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 87' ' ' ILE . 58.4 mp0 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.094 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mtp . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.36 88.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -77.53 130.99 37.65 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.128 -1.219 . . . . 0.0 110.458 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -84.78 -6.31 59.35 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 6' ' ' HIS . 52.9 p-80 -152.69 -159.54 1.02 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 0.0 109.979 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.422 ' O ' ' CD2' ' A' ' 5' ' ' HIS . 33.0 m170 -72.02 151.37 43.22 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.757 0.789 . . . . 0.0 110.715 -178.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -65.59 165.65 11.98 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.767 0.794 . . . . 0.0 110.993 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 55.13 -175.14 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.709 0.766 . . . . 0.0 110.636 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 57.95 76.36 0.34 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.573 0.701 . . . . 0.0 109.953 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -67.43 -38.71 84.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.564 -0.71 . . . . 0.0 109.458 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 11' ' ' MET . 3.8 ppp? -62.79 141.74 58.49 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.379 -0.826 . . . . 0.0 110.23 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.4 mt -86.04 150.06 51.72 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.16 -0.963 . . . . 0.0 110.007 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.414 ' O ' HG23 ' A' ' 17' ' ' VAL . 88.1 Cg_exo -40.19 163.95 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.612 2.208 . . . . 0.0 113.313 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.95 -39.91 96.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.403 -0.81 . . . . 0.0 109.742 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -58.83 -50.99 71.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.027 -1.046 . . . . 0.0 109.579 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.0 t -63.76 -42.87 97.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.905 . . . . 0.0 109.76 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 13' ' ' PRO . 69.7 t -63.92 -43.18 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.419 -0.801 . . . . 0.0 109.649 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -57.74 -47.91 81.1 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.144 -0.972 . . . . 0.0 109.867 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.49 -46.41 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.975 -1.078 . . . . 0.0 110.148 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.61 -41.6 92.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.243 -0.911 . . . . 0.0 109.777 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -63.31 -41.16 98.92 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.471 -0.768 . . . . 0.0 109.853 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.86 -48.67 79.14 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.179 -0.951 . . . . 0.0 109.796 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -61.55 -43.26 99.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.322 -0.861 . . . . 0.0 109.818 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.3 tp -66.64 -38.2 86.39 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.016 -1.053 . . . . 0.0 109.439 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -58.14 -44.12 87.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.48 -0.763 . . . . 0.0 109.68 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.08 -17.21 53.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.319 -0.863 . . . . 0.0 109.464 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -122.48 44.83 2.52 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.63 -0.669 . . . . 0.0 109.536 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.01 -42.2 97.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.422 -0.799 . . . . 0.0 109.311 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -89.79 -22.23 22.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.44 -0.788 . . . . 0.0 108.952 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -95.44 29.96 2.4 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.91 63.64 7.66 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.393 -0.817 . . . . 0.0 108.996 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.54 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 40.7 p90 -99.88 111.66 62.34 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.334 -0.853 . . . . 0.0 108.832 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HB2' ' HE ' ' A' ' 82' ' ' ARG . 51.9 Cg_exo -49.04 135.04 29.88 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.898 1.732 . . . . 0.0 113.001 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.6 t -165.39 154.42 12.18 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.178 -0.951 . . . . 0.0 109.692 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -65.27 -36.77 85.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.421 -0.799 . . . . 0.0 109.417 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.0 -47.0 79.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 0.0 109.941 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.63 -45.18 69.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.263 -0.898 . . . . 0.0 109.717 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.83 -40.76 95.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.759 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.07 95.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.107 -0.996 . . . . 0.0 109.478 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.97 -45.3 89.71 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.166 -0.959 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.3 -41.13 94.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.51 -0.744 . . . . 0.0 109.472 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.3 p -63.52 -34.61 78.17 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.351 -0.843 . . . . 0.0 109.67 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -69.04 -39.94 78.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.144 -0.972 . . . . 0.0 109.9 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.08 -41.85 94.66 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 109.603 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 p -96.34 -4.3 42.27 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.539 ' N ' ' O ' ' A' ' 42' ' ' SER . 78.8 m80 56.57 13.61 1.42 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.683 -0.635 . . . . 0.0 109.627 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -79.27 160.91 26.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.508 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 m -72.61 161.41 30.81 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.602 0.715 . . . . 0.0 110.403 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 m -61.32 -44.75 96.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.577 -0.702 . . . . 0.0 109.571 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 50' ' ' LEU . 10.5 mp -63.04 -40.44 97.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.118 -0.988 . . . . 0.0 109.457 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -62.6 -43.61 98.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.14 -0.975 . . . . 0.0 109.386 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.62 -43.35 93.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.687 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.8 m -63.47 -43.09 98.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.88 . . . . 0.0 110.249 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -64.47 -46.96 80.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.95 -1.094 . . . . 0.0 109.571 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -67.97 -38.84 83.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.53 -0.731 . . . . 0.0 109.391 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -58.48 -45.91 87.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.457 -0.777 . . . . 0.0 110.039 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CD1' ' O ' ' A' ' 83' ' ' ARG . 95.9 mt -63.64 -44.26 98.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.224 -0.923 . . . . 0.0 109.683 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -68.78 -47.54 65.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.11 -0.994 . . . . 0.0 110.402 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.44 94.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.767 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.729 ' NH2' ' H ' ' A' ' 81' ' ' SER . 73.2 ttp85 -64.04 -42.0 97.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.39 -0.819 . . . . 0.0 109.114 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.702 HH21 ' N ' ' A' ' 81' ' ' SER . 33.0 mmt180 -74.06 -12.07 60.51 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.761 -0.587 . . . . 0.0 110.105 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -110.26 -6.5 15.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.57 -0.706 . . . . 0.0 109.755 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' LEU . 81.0 mt -114.07 -66.98 1.03 Allowed 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.35 -0.844 . . . . 0.0 111.271 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 5.9 mp -39.62 -62.91 0.74 Allowed Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.582 -0.699 . . . . 0.0 111.294 -178.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 38.6 Cg_exo -38.4 -48.69 2.46 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 121.932 1.754 . . . . 0.0 112.063 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -66.4 -53.07 39.96 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.443 -0.786 . . . . 0.0 110.612 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 89.7 mmm -64.93 -42.24 94.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.251 -0.906 . . . . 0.0 110.12 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.5 -39.37 91.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.534 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -59.9 -43.06 95.04 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.191 -0.943 . . . . 0.0 108.932 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -64.02 -47.62 79.51 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.229 -0.919 . . . . 0.0 109.584 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 64.5 t0 -66.24 -34.18 77.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.393 -0.817 . . . . 0.0 109.145 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.93 14.01 63.52 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -111.04 121.12 44.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.551 -0.97 . . . . 0.0 109.557 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.69 ' H ' ' CD ' ' A' ' 75' ' ' PRO . 0.9 OUTLIER -108.18 -41.33 0.13 Allowed Pre-proline 0 N--CA 1.496 1.875 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.399 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.69 ' CD ' ' H ' ' A' ' 74' ' ' ASP . 26.9 Cg_exo -61.04 162.43 19.35 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.807 2.338 . . . . 0.0 112.765 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 6.1 t-20 74.3 40.64 0.41 Allowed 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 78' ' ' PHE . 1.4 tm0? -126.25 -54.89 1.47 Allowed 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 79' ' ' THR . 99.7 m-85 37.73 -157.45 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.812 -0.555 . . . . 0.0 110.56 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 78' ' ' PHE . 2.0 p 38.42 43.58 0.65 Allowed 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.797 0.808 . . . . 0.0 109.803 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.507 ' C ' ' H ' ' A' ' 82' ' ' ARG . 37.1 pt -85.79 145.14 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.558 -0.714 . . . . 0.0 110.479 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.729 ' H ' ' NH2' ' A' ' 60' ' ' ARG . 1.8 t 71.87 -34.49 0.3 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.684 -0.635 . . . . 0.0 109.599 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 80' ' ' ILE . 18.6 tpt85 41.81 -89.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.254 0.549 . . . . 0.0 110.259 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' A' ' 81' ' ' SER . 77.8 ttt-85 -141.08 82.86 1.85 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.432 -0.793 . . . . 0.0 109.272 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . 156.26 -162.6 31.52 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 54.24 -82.65 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.614 -0.933 . . . . 0.0 110.551 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 84' ' ' GLY . 68.4 mttm -72.49 148.47 45.03 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.295 -0.878 . . . . 0.0 110.613 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.503 ' H ' HD12 ' A' ' 87' ' ' ILE . 3.5 mp -79.15 131.39 34.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-O 121.748 0.785 . . . . 0.0 110.494 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 87' ' ' ILE . 2.9 p 59.69 131.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.776 0.798 . . . . 0.0 110.751 179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' OXT' ' O ' ' A' ' 88' ' ' SER . 81.1 tt0 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.11 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.58 12.49 82.87 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -134.88 142.37 46.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.443 -1.034 . . . . 0.0 109.797 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -146.37 62.54 1.22 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -64.1 -44.04 93.54 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.447 -0.783 . . . . 0.0 109.671 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -84.0 137.68 33.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.37 -0.831 . . . . 0.0 110.03 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -156.3 75.69 0.88 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -112.41 130.13 56.08 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.489 -0.757 . . . . 0.0 109.829 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -165.99 129.09 2.06 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.332 -0.855 . . . . 0.0 109.389 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -60.85 -41.52 96.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.54 -0.725 . . . . 0.0 109.63 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 78.5 mtm -145.67 -95.67 0.09 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.383 -0.823 . . . . 0.0 109.768 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 55' ' ' TRP . 0.7 OUTLIER -93.34 174.51 3.84 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.673 -0.642 . . . . 0.0 109.847 -178.464 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.403 ' O ' HG23 ' A' ' 17' ' ' VAL . 32.9 Cg_exo -58.93 146.95 91.91 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.406 2.071 . . . . 0.0 112.607 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -61.32 -37.83 84.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.615 -0.678 . . . . 0.0 109.49 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -60.87 -47.65 85.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.537 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.9 p -67.22 -40.06 86.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.134 -0.979 . . . . 0.0 109.355 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 13' ' ' PRO . 59.5 t -63.38 -43.29 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.398 -0.814 . . . . 0.0 109.24 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.29 -49.05 79.32 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.265 -0.897 . . . . 0.0 109.649 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.65 -44.89 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.084 -1.01 . . . . 0.0 109.767 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' CD2' HD22 ' A' ' 41' ' ' LEU . 15.6 mt -63.36 -41.79 98.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.386 -0.821 . . . . 0.0 109.712 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.08 -39.28 91.89 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.369 -0.832 . . . . 0.0 109.376 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.76 -47.67 79.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -0.835 . . . . 0.0 109.684 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -60.47 -41.65 94.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.134 -0.979 . . . . 0.0 109.467 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.27 -40.89 98.67 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.3 -0.875 . . . . 0.0 108.883 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.551 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 3.0 m-85 -60.33 -43.18 96.63 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.719 -0.613 . . . . 0.0 109.696 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' OE2' ' NE2' ' A' ' 77' ' ' GLN . 80.7 mm-40 -67.03 -38.02 85.16 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.291 -0.881 . . . . 0.0 109.522 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -91.92 14.86 14.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 108.859 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.551 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 45.2 ttm180 -58.22 146.64 33.15 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.488 -0.758 . . . . 0.0 110.219 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.7 t80 69.18 -60.81 0.45 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.375 0.607 . . . . 0.0 109.642 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 31' ' ' ALA . 76.8 m-20 -62.75 -42.16 99.54 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.358 -0.839 . . . . 0.0 109.544 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' ' CD2' ' A' ' 32' ' ' TYR . . . 48.21 104.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.501 -0.75 . . . . 0.0 110.77 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 31' ' ' ALA . 26.6 m-85 -164.21 73.09 1.68 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.028 -1.045 . . . . 0.0 109.1 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.496 ' CG ' ' NH2' ' A' ' 60' ' ' ARG . 35.8 Cg_exo -60.5 148.71 89.96 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.906 2.404 . . . . 0.0 112.34 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 t -147.56 154.99 41.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.218 -0.926 . . . . 0.0 109.827 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -56.89 -22.2 35.37 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.473 -0.767 . . . . 0.0 109.814 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -60.23 -49.47 77.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.153 -0.967 . . . . 0.0 109.624 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 37' ' ' GLU . 52.1 mp0 -68.15 -39.98 82.5 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.326 -0.859 . . . . 0.0 109.473 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -63.16 -40.83 98.69 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.317 -0.865 . . . . 0.0 109.468 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.78 -53.54 54.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.211 -0.931 . . . . 0.0 109.974 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.86 -40.49 95.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.869 . . . . 0.0 109.471 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 20' ' ' LEU . 28.1 mt -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.272 -0.893 . . . . 0.0 109.669 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.6 p -62.08 -39.55 92.8 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.272 -0.892 . . . . 0.0 109.632 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -77.04 -45.97 25.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 0.0 109.452 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.79 -40.6 92.08 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.356 -0.84 . . . . 0.0 109.67 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.436 ' C ' ' H ' ' A' ' 47' ' ' LEU . 22.9 p -107.77 129.69 55.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.519 -0.738 . . . . 0.0 109.12 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -71.17 42.68 0.07 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.665 -0.647 . . . . 0.0 109.488 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.444 HD22 ' NE2' ' A' ' 51' ' ' GLN . 86.4 mt -114.09 148.47 37.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.603 -0.686 . . . . 0.0 109.643 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -68.56 159.98 30.84 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.682 0.753 . . . . 0.0 110.684 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.7 m -61.79 -43.69 98.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.64 -0.663 . . . . 0.0 110.125 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 50' ' ' LEU . 10.8 mp -62.95 -40.39 97.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.171 -0.956 . . . . 0.0 109.708 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.549 HE21 HD22 ' A' ' 12' ' ' LEU . 59.6 tt0 -62.31 -41.24 98.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.334 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.57 -44.47 96.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.366 -0.833 . . . . 0.0 109.569 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -64.42 -47.28 79.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.37 -0.831 . . . . 0.0 110.11 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -63.61 -41.49 98.29 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.897 . . . . 0.0 109.196 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.554 ' CD1' HD11 ' A' ' 12' ' ' LEU . 82.0 t90 -66.3 -38.52 87.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.498 -0.751 . . . . 0.0 109.851 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.83 -46.36 87.86 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 109.892 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.19 -48.44 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.094 -1.004 . . . . 0.0 110.426 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -67.72 -42.78 81.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.997 -1.064 . . . . 0.0 110.057 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.423 ' HB2' ' CE2' ' A' ' 55' ' ' TRP . . . -64.37 -35.51 81.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.278 -0.889 . . . . 0.0 109.58 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.496 ' NH2' ' CG ' ' A' ' 33' ' ' PRO . 37.2 ttm180 -62.55 -49.38 75.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.034 -1.041 . . . . 0.0 109.856 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -75.99 -5.54 46.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.191 -0.943 . . . . 0.0 110.052 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -107.03 -26.98 10.92 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.606 -0.684 . . . . 0.0 110.285 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.7 mt -98.05 -45.39 6.27 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.184 -0.947 . . . . 0.0 111.008 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.525 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.6 tp -51.68 -43.41 87.79 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.076 -1.015 . . . . 0.0 111.016 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 2.1 Cg_endo -76.48 -36.62 1.64 Allowed 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 121.768 1.646 . . . . 0.0 111.187 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -67.33 -49.26 64.79 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.421 0.629 . . . . 0.0 109.83 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.418 ' SD ' ' NH1' ' A' ' 28' ' ' ARG . 1.5 tmt? -64.4 -45.95 85.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.303 -0.873 . . . . 0.0 109.58 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.08 -42.21 94.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.346 -0.846 . . . . 0.0 109.918 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -64.74 -43.76 92.3 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.17 -0.956 . . . . 0.0 109.331 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -65.54 -45.12 84.64 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.437 -0.79 . . . . 0.0 109.643 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 51.6 p-10 -171.94 79.59 0.06 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.478 -0.764 . . . . 0.0 109.565 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.67 34.1 2.76 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -154.28 46.74 0.59 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.362 -1.081 . . . . 0.0 108.638 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.443 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 27.2 p-10 -173.05 53.1 0.15 Allowed Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.709 -0.62 . . . . 0.0 109.597 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.519 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 53.2 Cg_endo -67.64 147.13 75.53 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.881 2.387 . . . . 0.0 112.509 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 75' ' ' PRO . 17.2 m120 -142.15 -64.13 0.43 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.328 -0.857 . . . . 0.0 109.427 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.524 ' NE2' ' OE2' ' A' ' 26' ' ' GLU . 10.7 tt0 46.06 91.31 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.607 -0.683 . . . . 0.0 109.552 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 79' ' ' THR . 80.4 t80 -99.72 74.76 1.87 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.532 -0.73 . . . . 0.0 109.465 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 81' ' ' SER . 5.0 m 59.39 143.58 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.346 0.593 . . . . 0.0 110.651 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 79' ' ' THR . 4.7 tt 36.86 30.02 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 CA-C-O 121.651 0.739 . . . . 0.0 110.196 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 79' ' ' THR . 90.9 p 50.6 -161.82 0.06 Allowed 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.749 0.785 . . . . 0.0 110.488 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -87.99 137.32 32.44 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.48 -0.762 . . . . 0.0 110.508 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -80.73 -6.54 58.59 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.39 -0.819 . . . . 0.0 108.959 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.72 20.69 39.39 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.31 145.14 56.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.326 -1.102 . . . . 0.0 110.255 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -133.1 -18.79 2.28 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.3 tt -70.28 135.07 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.437 -0.789 . . . . 0.0 110.156 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 89' ' ' GLU . 90.7 p -71.91 163.15 28.36 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.741 0.781 . . . . 0.0 110.665 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 88' ' ' SER . 73.8 mm-40 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.892 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.92 1.04 89.11 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -71.89 134.97 46.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.315 -1.109 . . . . 0.0 110.055 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -87.03 156.32 19.8 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.228 -0.92 . . . . 0.0 110.259 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -71.46 130.74 42.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.2 -0.938 . . . . 0.0 110.244 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -66.46 -43.2 86.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.807 . . . . 0.0 109.568 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -174.95 -44.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.51 -0.744 . . . . 0.0 109.232 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -77.11 146.99 36.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.34 -0.85 . . . . 0.0 110.485 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 m -74.72 161.93 29.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.536 -0.728 . . . . 0.0 110.641 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -62.53 -30.24 71.15 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.3 -0.875 . . . . 0.0 109.723 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.0 tpp -67.9 143.78 55.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.159 -0.963 . . . . 0.0 109.758 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.58 152.81 75.74 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.179 -0.951 . . . . 0.0 109.495 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -43.64 157.72 0.12 Allowed 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.38 2.054 . . . . 0.0 113.259 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -44.53 96.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.463 -0.773 . . . . 0.0 110.106 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.89 -41.7 99.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.109 -0.994 . . . . 0.0 109.734 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -63.51 -43.58 96.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.065 -1.022 . . . . 0.0 109.515 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.47 -43.27 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.254 -0.904 . . . . 0.0 109.218 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -57.16 -44.97 83.98 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.332 -0.855 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.22 -44.94 97.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.136 -0.978 . . . . 0.0 109.468 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.429 HD21 HG21 ' A' ' 45' ' ' THR . 91.9 mt -65.54 -42.37 92.0 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.918 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -65.59 -41.89 92.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.31 -0.869 . . . . 0.0 109.911 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.59 -46.17 91.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.275 -0.89 . . . . 0.0 110.207 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.539 ' NE1' ' OE2' ' A' ' 37' ' ' GLU . 68.3 t-105 -62.68 -41.14 98.94 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 109.615 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' ARG . 32.7 tp -63.04 -40.82 98.86 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.28 -0.887 . . . . 0.0 109.485 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CE1' ' NH2' ' A' ' 28' ' ' ARG . 3.7 m-85 -60.85 -37.88 83.6 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.345 -0.847 . . . . 0.0 109.191 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 80' ' ' ILE . 95.9 mt-10 -63.44 -39.16 93.73 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.153 -0.967 . . . . 0.0 109.375 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -134.94 57.21 1.81 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.471 -0.768 . . . . 0.0 108.952 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 25' ' ' TYR . 4.3 ptp180 -71.07 -35.51 71.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.592 -0.693 . . . . 0.0 109.922 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -61.21 -47.15 87.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.183 -0.948 . . . . 0.0 110.142 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 21.7 t-20 -97.08 -105.08 0.17 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.191 -0.943 . . . . 0.0 110.216 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' N ' ' CG ' ' A' ' 30' ' ' ASN . . . 44.39 51.86 7.55 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.02 166.14 40.67 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 109.265 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.51 134.28 51.96 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.284 1.989 . . . . 0.0 113.074 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.1 p -167.79 150.97 5.95 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.446 -0.784 . . . . 0.0 109.333 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 58.9 mp0 -71.2 -38.63 72.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.392 -0.818 . . . . 0.0 109.711 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -65.99 -43.24 88.34 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.242 -0.911 . . . . 0.0 109.984 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.539 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 51.0 tp10 -67.82 -43.73 78.94 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.233 -0.917 . . . . 0.0 109.611 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -63.01 -44.14 96.82 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.17 -0.956 . . . . 0.0 109.219 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.09 87.1 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.308 -0.87 . . . . 0.0 109.318 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.49 -48.66 76.74 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.338 -0.851 . . . . 0.0 109.421 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.85 -39.65 83.79 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.53 -0.731 . . . . 0.0 109.603 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 46' ' ' HIS . 38.2 t -60.85 -42.29 97.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.48 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.41 -40.68 93.66 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.197 -0.939 . . . . 0.0 109.138 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -64.86 -39.93 94.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.228 -0.92 . . . . 0.0 109.825 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.429 HG21 HD21 ' A' ' 20' ' ' LEU . 54.6 p -93.1 -10.56 35.56 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.252 -0.905 . . . . 0.0 109.116 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 42' ' ' SER . 59.2 m-70 60.86 7.65 1.55 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.533 -0.729 . . . . 0.0 109.121 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.9 mt -87.29 167.08 14.39 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.355 -0.84 . . . . 0.0 110.211 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.4 p -73.79 159.21 33.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.441 -0.787 . . . . 0.0 110.444 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.449 ' O ' ' SG ' ' A' ' 53' ' ' CYS . 30.1 p -67.92 -33.95 75.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.426 -0.796 . . . . 0.0 109.817 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.74 -45.37 93.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.136 -0.977 . . . . 0.0 109.844 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -70.3 -41.97 72.64 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.214 -0.929 . . . . 0.0 109.674 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.59 -43.67 93.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.289 -0.882 . . . . 0.0 109.71 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 49' ' ' THR . 87.3 m -61.83 -38.76 89.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.342 -0.849 . . . . 0.0 110.116 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -64.22 -41.16 97.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.091 -1.006 . . . . 0.0 109.728 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -59.45 -47.14 86.63 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.249 -0.907 . . . . 0.0 109.054 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.455 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 34.6 m-85 -65.73 -36.89 84.87 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.887 -1.125 . . . . 0.0 113.714 -177.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.02 -49.37 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 C-N-CA 115.868 -2.333 . . . . 0.0 108.89 -177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -68.97 -44.49 72.82 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.805 -1.185 . . . . 0.0 109.876 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.95 95.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.758 -1.214 . . . . 0.0 110.102 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 56' ' ' PHE . 79.8 mtp85 -63.47 -43.0 98.58 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.068 -1.02 . . . . 0.0 109.836 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.89 -17.73 62.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.189 -0.944 . . . . 0.0 110.184 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -104.56 -5.22 21.71 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.2 -0.937 . . . . 0.0 110.11 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' LEU . 79.0 mt -113.39 -66.28 1.1 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.301 -0.874 . . . . 0.0 110.425 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 6.4 mp -39.19 -64.13 0.54 Allowed Pre-proline 0 N--CA 1.498 1.948 0 O-C-N 121.485 -0.76 . . . . 0.0 110.987 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.428 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 12.6 Cg_endo -55.44 -41.94 73.02 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.784 1.656 . . . . 0.0 111.594 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -65.58 -45.71 82.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.268 -0.895 . . . . 0.0 110.085 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 54.7 tpp -71.41 -39.59 71.01 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.076 -1.015 . . . . 0.0 110.148 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' LYS . 57.0 mt -62.24 -45.73 92.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.025 -1.047 . . . . 0.0 109.984 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -72.26 -40.15 67.86 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.99 -1.069 . . . . 0.0 108.831 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.41 -44.26 91.81 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.089 -1.007 . . . . 0.0 109.471 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.38 -6.17 59.1 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.129 -0.982 . . . . 0.0 109.103 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 73' ' ' LYS . . . 73.89 24.66 73.59 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 72' ' ' GLY . 6.2 tmtt? 78.62 48.81 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.553 -0.969 . . . . 0.0 109.438 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.465 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 6.9 m-20 -151.25 52.69 1.01 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.153 -0.967 . . . . 0.0 108.778 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 74' ' ' ASP . 28.4 Cg_endo -63.16 141.12 81.52 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.329 2.019 . . . . 0.0 111.946 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -95.01 95.48 8.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.248 -0.908 . . . . 0.0 109.767 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.434 ' OE1' ' N ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.42 -10.1 36.31 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.417 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 97.0 m-85 -66.1 -40.0 90.42 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.466 -0.771 . . . . 0.0 110.074 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.1 p -62.65 136.4 57.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.03 -1.044 . . . . 0.0 110.489 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.413 ' O ' ' OE2' ' A' ' 26' ' ' GLU . 96.4 mt -76.23 -19.76 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.433 -0.792 . . . . 0.0 109.304 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.1 t -152.32 83.4 1.25 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.855 . . . . 0.0 109.091 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -65.66 -42.51 91.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.501 -0.749 . . . . 0.0 109.785 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -63.85 -41.74 97.72 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.292 -0.88 . . . . 0.0 109.184 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 57.11 23.1 45.62 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.64 102.87 6.33 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.934 -1.333 . . . . 0.0 110.078 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 88' ' ' SER . 88.9 tttt -156.69 112.06 2.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.152 -0.968 . . . . 0.0 109.341 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 97.0 mt 45.92 -88.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.394 -0.816 . . . . 0.0 110.65 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 86' ' ' LYS . 17.7 m -71.96 151.69 43.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 110.74 -178.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 117.949 -1.025 . . . . 0.0 108.824 179.379 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 ptp . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.714 0.768 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.68 6.74 88.24 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -111.1 126.92 55.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.594 -0.945 . . . . 0.0 109.889 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -104.08 26.6 8.56 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 67.2 m80 56.54 103.66 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 121.782 0.801 . . . . 0.0 110.34 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.56 124.72 27.16 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.762 0.791 . . . . 0.0 110.166 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 8' ' ' HIS . 86.4 t60 -67.38 -40.52 85.69 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.478 0.656 . . . . 0.0 109.786 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.667 ' CG ' ' H ' ' A' ' 9' ' ' SER . 0.8 OUTLIER -58.79 -153.88 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.794 0.807 . . . . 0.0 110.279 -179.137 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.667 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 6.8 p 66.91 -164.68 0.22 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.833 0.825 . . . . 0.0 110.675 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -71.75 126.82 30.69 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.722 0.772 . . . . 0.0 109.725 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -94.87 -94.35 0.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.816 0.817 . . . . 0.0 109.563 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 12' ' ' LEU . 10.8 mt -53.67 149.08 16.9 Favored Pre-proline 0 C--N 1.3 -1.545 0 O-C-N 121.962 -0.461 . . . . 0.0 110.086 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.29 141.56 0.74 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.801 2.334 . . . . 0.0 113.046 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -63.71 -31.44 72.62 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.402 0.62 . . . . 0.0 110.038 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.4 -49.6 73.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.404 -0.81 . . . . 0.0 109.996 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -67.82 -39.27 83.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.316 -0.865 . . . . 0.0 109.7 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.59 -42.32 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.559 -0.713 . . . . 0.0 109.488 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.98 -44.01 93.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.597 -0.689 . . . . 0.0 110.057 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.28 -44.5 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.327 -0.858 . . . . 0.0 109.682 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.81 -41.02 92.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.481 -0.762 . . . . 0.0 109.643 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -65.21 -41.6 94.33 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.542 0.687 . . . . 0.0 109.667 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.43 -44.11 97.7 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.528 -0.733 . . . . 0.0 109.951 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.519 ' CZ2' ' NE2' ' A' ' 27' ' ' HIS . 72.8 t-105 -64.34 -47.86 77.73 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 121.708 0.766 . . . . 0.0 109.562 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.7 -40.6 95.65 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.681 0.753 . . . . 0.0 110.009 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.473 ' CD1' ' NH2' ' A' ' 28' ' ' ARG . 75.4 t80 -60.24 -46.28 90.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.448 -0.782 . . . . 0.0 109.7 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.615 ' CG ' HH21 ' A' ' 83' ' ' ARG . 96.4 mt-10 -62.77 -48.23 80.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.403 -0.811 . . . . 0.0 109.57 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.566 ' O ' ' N ' ' A' ' 29' ' ' TYR . 89.1 m-70 -77.9 -77.38 0.16 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.44 -0.788 . . . . 0.0 109.675 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.584 ' NH2' ' SD ' ' A' ' 67' ' ' MET . 35.1 ttm180 57.41 -75.65 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.482 0.658 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.566 ' N ' ' O ' ' A' ' 27' ' ' HIS . 99.7 m-85 -61.31 -44.79 96.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.489 -0.757 . . . . 0.0 110.502 -178.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.495 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 77.2 m-20 -67.75 -61.87 1.68 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.098 -1.001 . . . . 0.0 109.589 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 45.9 98.7 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.916 0.865 . . . . 0.0 110.26 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 30' ' ' ASN . 41.7 m-85 -158.07 73.18 4.03 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.613 -0.679 . . . . 0.0 109.262 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.19 144.19 99.5 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.943 2.429 . . . . 0.0 112.3 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.9 t -160.37 170.49 20.92 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.75 0.786 . . . . 0.0 109.86 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -54.83 -22.21 13.75 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.536 0.684 . . . . 0.0 109.507 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -73.0 -57.68 3.86 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.499 -0.75 . . . . 0.0 109.477 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 37' ' ' GLU . 57.9 mp0 -72.35 -38.51 68.57 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.628 -0.67 . . . . 0.0 110.271 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.04 -43.24 99.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.349 -0.844 . . . . 0.0 109.53 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.97 76.41 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.652 0.739 . . . . 0.0 109.514 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.04 -45.26 86.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.506 -0.746 . . . . 0.0 110.031 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.14 -40.85 90.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.505 -0.747 . . . . 0.0 109.83 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.7 p -62.6 -39.26 93.17 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.505 0.669 . . . . 0.0 109.645 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -66.88 -44.8 79.95 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.535 -0.728 . . . . 0.0 109.461 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -70.57 -40.18 73.47 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.435 -0.791 . . . . 0.0 109.476 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p -87.11 165.79 15.49 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.814 0.816 . . . . 0.0 109.974 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -105.82 26.58 9.44 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.2 mt -109.42 150.42 28.1 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.755 0.788 . . . . 0.0 110.168 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.3 m -67.78 166.42 15.4 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.839 0.828 . . . . 0.0 110.395 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 m -61.94 -42.92 99.66 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.549 0.69 . . . . 0.0 109.595 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.5 -42.45 99.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.481 -0.762 . . . . 0.0 109.756 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.36 -40.37 95.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.499 -0.75 . . . . 0.0 109.368 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.92 -45.56 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.55 -0.719 . . . . 0.0 109.91 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.0 m -65.63 -45.75 81.85 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.366 -0.834 . . . . 0.0 109.417 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -64.96 -38.76 92.04 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.639 0.733 . . . . 0.0 109.393 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.402 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 85.7 t90 -58.35 -42.31 86.61 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.617 -0.677 . . . . 0.0 110.041 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -63.01 -44.39 96.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.41 -0.806 . . . . 0.0 110.104 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.61 -47.16 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.46 -0.775 . . . . 0.0 110.126 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -76.0 -44.58 38.89 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.44 -0.787 . . . . 0.0 110.247 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' LEU . . . -62.77 -44.81 95.2 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.549 -0.719 . . . . 0.0 110.072 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.53 -46.23 89.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.386 -0.821 . . . . 0.0 109.828 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.52 -16.49 63.45 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.439 -0.788 . . . . 0.0 110.039 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -102.1 -23.36 14.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.35 -0.844 . . . . 0.0 109.434 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 64' ' ' LEU . 69.3 mt -94.02 -70.21 0.72 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.34 -0.85 . . . . 0.0 110.909 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -31.39 -64.88 0.21 Allowed Pre-proline 0 N--CA 1.501 2.094 0 O-C-N 121.89 -0.506 . . . . 0.0 112.055 -178.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 17.4 Cg_endo -58.67 -55.92 1.78 Allowed 'Trans proline' 0 C--N 1.303 -1.849 0 C-N-CA 121.602 1.535 . . . . 0.0 112.633 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.56 -48.68 78.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.557 -0.714 . . . . 0.0 110.765 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.584 ' SD ' ' NH2' ' A' ' 28' ' ' ARG . 28.9 ttp -59.8 -46.36 89.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.423 -0.798 . . . . 0.0 110.395 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.54 -40.47 97.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.504 -0.747 . . . . 0.0 110.238 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -79.54 -17.71 53.43 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.372 -0.83 . . . . 0.0 109.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.41 -46.45 79.95 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -169.34 29.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 44.16 70.88 0.51 Allowed Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' HA ' HH12 ' A' ' 28' ' ' ARG . 64.4 tttp 58.94 112.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.786 0.803 . . . . 0.0 110.126 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.58 ' N ' ' CD ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER 179.99 -44.55 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.669 -0.644 . . . . 0.0 109.453 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 74' ' ' ASP . 32.5 Cg_exo -59.8 142.07 97.96 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.443 2.096 . . . . 0.0 112.482 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -148.96 100.57 3.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.626 -0.671 . . . . 0.0 109.446 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.18 -79.74 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.399 0.618 . . . . 0.0 109.723 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -79.65 160.3 26.39 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.813 0.816 . . . . 0.0 110.428 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 80' ' ' ILE . 7.7 t -75.76 -152.56 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.769 0.795 . . . . 0.0 110.371 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.492 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.1 tp -49.37 129.64 6.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 121.645 0.736 . . . . 0.0 110.705 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.405 ' H ' ' NH1' ' A' ' 83' ' ' ARG . 13.6 m -127.53 46.53 2.52 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.469 0.652 . . . . 0.0 109.257 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.6 ttp85 58.16 89.24 0.05 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.813 0.816 . . . . 0.0 110.322 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.615 HH21 ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -65.52 143.5 57.61 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.856 0.836 . . . . 0.0 110.189 -179.747 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 86' ' ' LYS . . . -86.64 90.98 1.7 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 52.76 6.62 0.05 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.833 -0.804 . . . . 0.0 109.492 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 84' ' ' GLY . 44.8 tttp -83.11 137.41 34.09 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.854 0.835 . . . . 0.0 110.291 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 87' ' ' ILE . 4.9 mp -84.49 -3.76 8.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.442 ' H ' ' HG2' ' A' ' 86' ' ' LYS . 4.0 p 72.2 4.4 5.0 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.525 0.679 . . . . 0.0 109.668 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.652 179.866 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 ttp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.84 -78.67 0.72 Allowed Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 80.5 m80 42.94 75.8 0.09 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.623 -0.928 . . . . 0.0 109.702 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -89.86 -1.43 57.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.492 -0.755 . . . . 0.0 109.082 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -60.88 -40.1 91.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.345 -0.847 . . . . 0.0 109.334 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -64.97 -171.38 0.07 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.461 -0.774 . . . . 0.0 110.463 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.1 m80 57.68 101.16 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.74 0.781 . . . . 0.0 109.96 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -69.79 142.05 53.25 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.726 0.774 . . . . 0.0 110.314 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m 55.48 -169.74 0.08 Allowed 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.704 0.764 . . . . 0.0 110.356 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -137.89 67.44 1.42 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.2 ttt -84.42 129.45 34.86 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.698 0.761 . . . . 0.0 109.684 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt -85.47 151.66 56.41 Favored Pre-proline 0 N--CA 1.488 1.438 0 O-C-N 121.702 -0.623 . . . . 0.0 109.665 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.28 157.4 0.17 Allowed 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.579 2.186 . . . . 0.0 113.001 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -60.69 -41.33 94.94 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.458 0.647 . . . . 0.0 109.859 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -59.57 -48.17 82.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.457 -0.777 . . . . 0.0 109.633 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.5 t -64.39 -42.05 96.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.463 -0.773 . . . . 0.0 109.708 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.0 -43.2 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.449 -0.782 . . . . 0.0 109.459 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -45.41 91.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.333 -0.854 . . . . 0.0 109.613 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.95 -45.05 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 CA-C-O 121.696 0.76 . . . . 0.0 109.526 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.88 -41.47 91.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.5 -0.75 . . . . 0.0 109.781 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -63.31 -43.27 98.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.428 -0.795 . . . . 0.0 109.637 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -62.3 -45.89 91.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.576 -0.703 . . . . 0.0 109.717 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.57 ' CD1' HD21 ' A' ' 41' ' ' LEU . 52.4 t-105 -63.09 -46.61 86.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.845 . . . . 0.0 109.413 -179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.19 -40.44 96.11 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.808 0.813 . . . . 0.0 109.218 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.613 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 58.4 t80 -60.65 -47.82 84.55 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.625 -0.672 . . . . 0.0 110.134 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.71 -38.98 77.13 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.425 -0.797 . . . . 0.0 110.064 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.53 46.28 0.93 Allowed 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.613 ' NH2' ' CE2' ' A' ' 25' ' ' TYR . 16.9 ptp180 -66.31 -30.27 70.64 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 121.504 0.669 . . . . 0.0 109.777 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -61.78 -43.44 98.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.408 -0.808 . . . . 0.0 109.443 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 9.0 m120 -78.51 -104.95 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.464 -0.773 . . . . 0.0 109.652 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 30' ' ' ASN . . . 64.31 44.93 4.08 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.393 0.616 . . . . 0.0 109.808 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.476 ' C ' ' H ' ' A' ' 34' ' ' SER . 10.5 m-85 -99.81 153.46 37.76 Favored Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 109.335 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.58 19.37 0.18 Allowed 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.858 2.372 . . . . 0.0 111.334 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.476 ' H ' ' C ' ' A' ' 32' ' ' TYR . 32.1 t -63.42 149.23 46.46 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.724 0.773 . . . . 0.0 110.463 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.02 -34.16 77.77 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.507 0.67 . . . . 0.0 109.445 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.51 -40.17 95.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.456 -0.777 . . . . 0.0 109.468 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -65.96 -45.68 80.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.49 -0.756 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -66.04 -39.2 89.97 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.583 -0.698 . . . . 0.0 109.863 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.55 77.38 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.4 -0.813 . . . . 0.0 109.844 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.73 -43.01 97.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.327 -0.858 . . . . 0.0 109.682 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 23' ' ' TRP . 95.9 mt -65.85 -40.43 91.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.555 -0.716 . . . . 0.0 109.554 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -62.57 -36.48 82.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.589 -0.695 . . . . 0.0 109.504 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.22 -39.1 75.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.531 -0.73 . . . . 0.0 109.657 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -70.48 -39.87 73.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.451 -0.78 . . . . 0.0 109.908 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 47' ' ' LEU . 81.5 p -110.65 128.84 55.86 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.826 0.822 . . . . 0.0 109.719 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -71.05 44.33 0.08 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 121.336 0.588 . . . . 0.0 109.51 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 45' ' ' THR . 95.5 mt -114.87 149.24 37.45 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.74 0.781 . . . . 0.0 109.943 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.2 p -70.75 165.66 22.57 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.858 0.837 . . . . 0.0 110.236 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.0 p -63.14 -40.2 96.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.675 -0.641 . . . . 0.0 109.912 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 50' ' ' LEU . 10.5 mp -63.5 -42.26 98.51 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.47 -0.769 . . . . 0.0 109.492 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -68.38 -43.69 76.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.313 -0.867 . . . . 0.0 109.624 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -67.5 -43.3 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.531 -0.73 . . . . 0.0 109.776 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.4 t -60.01 -41.98 93.33 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.554 -0.716 . . . . 0.0 110.117 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -62.68 -49.18 76.13 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.185 -0.947 . . . . 0.0 109.73 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -69.34 -38.73 78.28 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.658 0.742 . . . . 0.0 109.763 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -59.26 -46.18 89.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.567 -0.708 . . . . 0.0 110.035 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.2 -49.21 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.163 -0.96 . . . . 0.0 109.955 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.539 HD21 ' NH2' ' A' ' 62' ' ' ARG . 36.5 t30 -65.69 -42.47 91.17 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.474 -0.766 . . . . 0.0 109.826 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.89 -34.38 75.33 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.549 0.69 . . . . 0.0 109.82 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.486 ' CG ' HE22 ' A' ' 77' ' ' GLN . 34.7 ttm180 -55.38 -60.54 3.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.446 -0.784 . . . . 0.0 109.258 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.582 ' NE ' ' NH2' ' A' ' 83' ' ' ARG . 84.1 mtt85 -61.68 -31.9 72.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.559 -0.713 . . . . 0.0 110.55 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.539 ' NH2' HD21 ' A' ' 58' ' ' ASN . 36.5 ttm180 -80.0 -15.23 57.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.387 -0.821 . . . . 0.0 110.948 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' LEU . 95.2 mt -114.34 -56.36 2.4 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.22 -0.925 . . . . 0.0 111.462 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . 3.7 mm? -36.87 -63.87 0.43 Allowed Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 121.655 -0.653 . . . . 0.0 111.41 -178.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.451 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 12.0 Cg_endo -56.52 -39.32 92.12 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 121.582 1.521 . . . . 0.0 111.663 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.39 -49.93 67.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.656 -0.653 . . . . 0.0 109.964 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -67.19 -42.5 84.09 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.67 0.748 . . . . 0.0 109.493 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.62 -41.25 96.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.54 -0.725 . . . . 0.0 109.876 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -62.3 -42.28 99.23 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.428 0.632 . . . . 0.0 109.759 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -62.41 -42.11 99.19 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.423 -0.798 . . . . 0.0 110.503 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -83.32 -5.77 59.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.198 -0.939 . . . . 0.0 109.425 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.43 18.58 79.85 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -86.4 149.4 25.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.419 -1.047 . . . . 0.0 110.455 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.48 153.35 44.18 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 121.701 -0.625 . . . . 0.0 109.587 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.61 139.11 62.31 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.83 2.353 . . . . 0.0 112.38 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -114.27 4.18 15.36 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.486 HE22 ' CG ' ' A' ' 60' ' ' ARG . 13.8 pt20 -133.18 -159.94 1.01 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.487 -0.758 . . . . 0.0 109.815 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -93.1 116.7 29.28 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.868 0.842 . . . . 0.0 110.155 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -162.49 122.73 2.42 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.637 0.732 . . . . 0.0 109.344 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.758 HD12 ' N ' ' A' ' 80' ' ' ILE . 2.1 mp -85.66 -77.39 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.645 -0.659 . . . . 0.0 109.883 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.571 ' O ' ' N ' ' A' ' 83' ' ' ARG . 31.2 p -156.54 87.16 1.02 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.449 -0.782 . . . . 0.0 109.742 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 57.52 -72.21 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 121.323 0.582 . . . . 0.0 110.347 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.582 ' NH2' ' NE ' ' A' ' 61' ' ' ARG . 56.2 ttp180 61.47 77.04 0.35 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.666 0.746 . . . . 0.0 109.957 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.52 156.96 38.25 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.24 145.34 54.36 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.838 -0.801 . . . . 0.0 110.286 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.7 tttt 59.07 116.17 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 122.018 0.914 . . . . 0.0 110.677 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.6 mt 52.62 100.6 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-O 121.93 0.871 . . . . 0.0 110.483 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -78.6 164.24 24.83 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.69 0.757 . . . . 0.0 110.372 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.374 -179.839 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.597 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.439 ' H ' ' H2 ' ' A' ' 1' ' ' MET . . . 84.83 173.42 49.85 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -154.33 -10.26 0.14 Allowed 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.477 ' O ' ' ND1' ' A' ' 6' ' ' HIS . 56.9 p-80 -158.41 -156.16 0.53 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.494 -0.754 . . . . 0.0 109.998 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.6 t60 62.33 2.13 0.82 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.638 -0.664 . . . . 0.0 109.28 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 4' ' ' HIS . 73.8 m80 -92.95 13.96 19.06 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 9' ' ' SER . 77.2 m80 -54.52 -10.67 0.44 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.187 -0.946 . . . . 0.0 109.206 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' HIS . 77.1 m80 -40.11 90.55 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 121.394 0.616 . . . . 0.0 110.373 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' HIS . 29.0 m -154.62 -67.68 0.13 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.4 ' ND1' ' N ' ' A' ' 10' ' ' HIS . 7.9 p-80 -153.3 161.86 41.91 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.271 -0.893 . . . . 0.0 110.08 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.411 ' CG ' ' H ' ' A' ' 12' ' ' LEU . 1.9 ptt? -98.85 -103.79 0.21 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.536 -0.728 . . . . 0.0 109.917 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.411 ' H ' ' CG ' ' A' ' 11' ' ' MET . 10.3 mt -52.97 147.62 15.81 Favored Pre-proline 0 N--CA 1.488 1.446 0 O-C-N 121.55 -0.719 . . . . 0.0 109.74 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.08 152.11 83.42 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.339 2.026 . . . . 0.0 112.375 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HZ2' HH22 ' A' ' 21' ' ' ARG . 56.5 tttp -62.5 -36.48 82.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.377 -0.827 . . . . 0.0 109.563 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -58.32 -53.42 58.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 109.712 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -63.52 -41.73 98.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 0.0 109.887 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.06 -43.47 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.481 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HA ' ' HE ' ' A' ' 21' ' ' ARG . 62.1 tt0 -59.59 -40.54 87.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.317 -0.864 . . . . 0.0 109.761 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.59 -43.95 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.255 -0.903 . . . . 0.0 109.45 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.21 -43.09 99.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.259 -0.901 . . . . 0.0 109.564 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.53 ' NH1' ' OG1' ' A' ' 79' ' ' THR . 90.1 mtm180 -67.21 -38.36 85.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.374 -0.828 . . . . 0.0 109.379 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.78 -46.71 89.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.327 -0.858 . . . . 0.0 109.836 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.509 ' NE1' ' OE2' ' A' ' 37' ' ' GLU . 64.4 t-105 -66.98 -42.29 85.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.478 -0.764 . . . . 0.0 109.516 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.16 -40.92 90.91 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.13 -0.981 . . . . 0.0 109.761 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.33 -48.67 78.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.294 -0.879 . . . . 0.0 109.58 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' OE2' ' CE3' ' A' ' 23' ' ' TRP . 16.3 pt-20 -70.89 -35.79 72.47 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.233 -0.917 . . . . 0.0 109.021 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 28' ' ' ARG . 9.2 t-160 -80.38 -81.55 0.12 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.293 -0.879 . . . . 0.0 109.705 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' ASN . 16.1 ptm180 32.59 -146.14 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.123 0.487 . . . . 0.0 110.913 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 53.44 -84.06 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.649 -0.657 . . . . 0.0 109.793 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 28' ' ' ARG . 15.2 t-20 -112.55 10.76 19.61 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.4 92.9 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.412 -0.805 . . . . 0.0 109.234 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 30' ' ' ASN . 39.0 p90 -92.87 147.27 33.67 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.303 -0.873 . . . . 0.0 109.521 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.98 141.28 52.77 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.319 2.013 . . . . 0.0 112.44 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -161.23 157.65 26.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 109.642 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.18 -37.78 81.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.348 -0.845 . . . . 0.0 109.266 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.26 -44.84 86.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.292 -0.88 . . . . 0.0 109.64 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.509 ' OE2' ' NE1' ' A' ' 23' ' ' TRP . 50.1 tp10 -68.87 -47.11 66.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 0.0 109.569 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' NZ ' ' SG ' ' A' ' 53' ' ' CYS . 98.4 mttt -64.95 -40.67 95.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.492 -0.755 . . . . 0.0 109.951 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.3 85.81 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.288 -0.882 . . . . 0.0 109.35 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.13 -43.99 96.85 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.593 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.71 -41.22 96.14 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.371 -0.831 . . . . 0.0 109.614 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.2 p -61.67 -41.09 97.07 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.323 -0.86 . . . . 0.0 109.504 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.49 -38.86 77.86 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.255 -0.903 . . . . 0.0 109.318 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.74 -40.91 88.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.454 -0.779 . . . . 0.0 109.656 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 p -97.65 -3.07 40.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.197 -0.94 . . . . 0.0 108.828 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 42' ' ' SER . 59.8 t-80 59.08 12.93 2.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.532 -0.73 . . . . 0.0 109.245 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.6 mt -80.97 163.02 23.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.349 -0.845 . . . . 0.0 110.477 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.5 m -72.53 152.69 41.72 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.495 -0.753 . . . . 0.0 110.386 -179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.7 m -62.58 -43.26 99.26 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.704 -0.622 . . . . 0.0 109.324 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.42 -43.45 98.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.458 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.94 -45.31 86.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.341 -0.85 . . . . 0.0 109.934 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.46 -43.28 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 109.701 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.425 ' SG ' ' NZ ' ' A' ' 38' ' ' LYS . 36.0 t -61.72 -49.63 75.67 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.302 -0.874 . . . . 0.0 109.906 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -63.93 -42.12 97.44 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.136 -0.977 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -67.74 -40.08 84.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.542 -0.723 . . . . 0.0 109.792 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.04 -47.9 83.56 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.402 -0.812 . . . . 0.0 110.122 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.79 -45.83 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.131 -0.981 . . . . 0.0 110.261 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.634 HD22 ' CZ ' ' A' ' 83' ' ' ARG . 47.7 t30 -68.33 -40.6 81.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.231 -0.918 . . . . 0.0 110.439 -179.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.67 88.8 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.318 -0.864 . . . . 0.0 110.172 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -64.71 -39.66 94.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.107 -0.996 . . . . 0.0 110.012 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -74.28 -7.65 53.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.52 -0.738 . . . . 0.0 110.052 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.504 ' NH2' ' HB2' ' A' ' 85' ' ' ALA . 84.6 mmt-85 -120.65 -5.98 9.7 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.381 -0.824 . . . . 0.0 110.064 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -110.98 -58.95 2.03 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.282 -0.886 . . . . 0.0 110.36 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.42 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -47.98 -50.86 51.79 Favored Pre-proline 0 C--N 1.304 -1.403 0 O-C-N 121.261 -0.899 . . . . 0.0 110.138 -178.424 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 64' ' ' LEU . 35.6 Cg_exo -53.78 -44.46 48.95 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 121.403 1.402 . . . . 0.0 111.53 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.44 -46.7 38.18 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.655 -0.653 . . . . 0.0 110.463 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 96.2 mmm -62.47 -44.26 96.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.255 -0.903 . . . . 0.0 109.503 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.12 -40.76 86.86 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.393 -0.817 . . . . 0.0 109.958 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -64.53 -43.31 94.41 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.178 -0.951 . . . . 0.0 109.817 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -59.49 -56.71 18.59 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.075 -1.016 . . . . 0.0 109.125 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 73' ' ' LYS . 63.2 t0 -178.69 69.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.86 -79.31 0.01 OUTLIER Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.777 -1.202 . . . . 0.0 110.326 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.8 pttp -137.17 97.76 3.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.307 -1.113 . . . . 0.0 108.391 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -118.67 119.54 32.54 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.589 -0.694 . . . . 0.0 109.25 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' A' ' 77' ' ' GLN . 60.7 Cg_endo -76.53 -87.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.794 1.662 . . . . 0.0 111.81 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.4 m120 41.0 -92.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 121.503 0.668 . . . . 0.0 110.418 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 75' ' ' PRO . 0.7 OUTLIER -96.2 125.38 40.68 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.358 -0.839 . . . . 0.0 109.826 -179.272 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -77.67 -95.0 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.523 -0.735 . . . . 0.0 110.281 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.53 ' OG1' ' NH1' ' A' ' 21' ' ' ARG . 18.9 m -87.44 127.14 35.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.892 . . . . 0.0 110.043 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 80' ' ' ILE . 96.5 mt -98.06 3.04 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER 81.18 37.13 0.08 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.519 -0.738 . . . . 0.0 109.339 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -95.44 0.48 53.37 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.353 -0.842 . . . . 0.0 109.128 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.634 ' CZ ' HD22 ' A' ' 58' ' ' ASN . 60.0 ttt85 -63.68 138.32 58.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.209 -0.932 . . . . 0.0 110.32 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.54 88.75 1.61 Allowed Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.504 ' HB2' ' NH2' ' A' ' 62' ' ' ARG . . . -68.26 148.33 50.95 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -1.126 . . . . 0.0 110.243 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -87.7 29.41 0.9 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.33 -0.856 . . . . 0.0 109.102 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.3 pt -80.51 145.07 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.118 -0.989 . . . . 0.0 110.508 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m 62.92 91.52 0.07 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.596 -0.69 . . . . 0.0 109.935 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 117.942 -1.028 . . . . 0.0 109.469 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.36 0.55 88.9 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 4' ' ' HIS . 86.5 t60 -66.18 -43.05 87.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.419 -1.048 . . . . 0.0 109.544 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 3' ' ' HIS . 96.6 m-70 57.8 119.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.787 0.804 . . . . 0.0 110.03 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -81.49 -12.68 58.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.401 -0.812 . . . . 0.0 109.054 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 53.6 -170.42 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 122.042 0.925 . . . . 0.0 110.783 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 48.46 60.72 3.46 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.727 0.775 . . . . 0.0 109.615 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -156.56 156.96 34.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.5 -0.75 . . . . 0.0 109.751 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.4 m -158.87 93.01 1.14 Allowed 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.714 ' CD2' ' H ' ' A' ' 11' ' ' MET . 34.4 p-80 -82.17 -118.19 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.616 0.722 . . . . 0.0 109.86 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.714 ' H ' ' CD2' ' A' ' 10' ' ' HIS . 41.9 ttp 57.32 154.56 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.902 0.858 . . . . 0.0 110.251 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 12' ' ' LEU . 6.1 mt -54.31 150.44 16.4 Favored Pre-proline 0 N--CA 1.488 1.468 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' O ' HG23 ' A' ' 17' ' ' VAL . 37.5 Cg_endo -65.41 163.44 29.62 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.632 2.222 . . . . 0.0 112.843 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -58.97 -40.15 83.88 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.377 0.608 . . . . 0.0 109.531 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -56.95 -46.47 82.11 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.298 -0.876 . . . . 0.0 109.425 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -67.51 -36.46 81.09 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.355 -0.841 . . . . 0.0 109.457 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 13' ' ' PRO . 71.0 t -63.78 -43.73 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.461 -0.775 . . . . 0.0 109.384 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -62.86 -43.11 99.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.407 -0.808 . . . . 0.0 109.37 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.96 -45.95 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.334 -0.854 . . . . 0.0 109.56 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.07 -40.05 82.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.534 -0.729 . . . . 0.0 109.714 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -62.12 -42.14 98.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.467 -0.771 . . . . 0.0 109.662 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.71 -45.05 95.62 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.473 -0.767 . . . . 0.0 109.379 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -65.46 -42.64 92.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.538 -0.726 . . . . 0.0 109.436 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.2 tp -67.92 -35.88 79.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.464 -0.773 . . . . 0.0 109.624 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -59.06 -48.54 81.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.424 -0.797 . . . . 0.0 109.672 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.18 -34.94 71.38 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.493 -0.754 . . . . 0.0 109.993 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.612 ' CE1' HH11 ' A' ' 83' ' ' ARG . 90.3 m-70 -105.9 38.26 2.05 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.329 -0.857 . . . . 0.0 109.091 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 32.2 ptt180 -60.89 -34.78 75.16 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -61.55 -41.53 97.51 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -90.08 90.82 8.29 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.769 0.795 . . . . 0.0 109.119 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 32' ' ' TYR . . . -95.99 68.03 2.71 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.53 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 1.7 t80 165.57 94.49 0.02 OUTLIER Pre-proline 0 C--N 1.301 -1.516 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -81.49 144.49 14.28 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.634 2.223 . . . . 0.0 112.437 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 p -80.77 171.15 15.38 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.871 0.843 . . . . 0.0 110.652 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -53.21 -43.74 67.45 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.5 0.667 . . . . 0.0 109.821 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -66.66 -41.85 87.54 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.298 -0.876 . . . . 0.0 109.485 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -66.7 -38.57 87.02 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.462 -0.774 . . . . 0.0 109.441 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -63.59 -39.29 94.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.52 -0.738 . . . . 0.0 109.427 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.72 93.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.487 -0.758 . . . . 0.0 109.272 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.54 -44.8 93.14 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.468 -0.77 . . . . 0.0 109.604 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.19 -40.31 90.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.553 -0.717 . . . . 0.0 109.453 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.7 p -61.83 -39.47 91.92 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.431 -0.793 . . . . 0.0 109.498 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -68.7 -36.56 78.64 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 121.713 0.768 . . . . 0.0 109.334 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -64.38 -38.63 91.71 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.621 0.725 . . . . 0.0 109.171 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.9 p -98.8 -8.73 25.42 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.338 -0.851 . . . . 0.0 108.912 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 42' ' ' SER . 27.6 m-70 64.91 5.73 3.03 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.577 0.703 . . . . 0.0 109.23 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.4 mt -85.57 160.47 19.63 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.861 0.839 . . . . 0.0 110.375 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.8 m -73.15 155.42 39.66 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.719 0.771 . . . . 0.0 110.214 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 p -64.23 -35.75 81.83 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.553 0.692 . . . . 0.0 109.421 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.42 -42.63 98.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.505 -0.747 . . . . 0.0 109.283 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -66.73 -41.59 87.63 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.514 -0.741 . . . . 0.0 109.444 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.97 -43.21 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 CA-C-O 121.583 0.706 . . . . 0.0 109.531 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.3 t -57.67 -47.63 81.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.47 -0.768 . . . . 0.0 109.889 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -64.05 -44.7 91.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.461 -0.775 . . . . 0.0 109.709 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.42 ' CE2' ' HB2' ' A' ' 59' ' ' ALA . 73.4 t90 -66.13 -38.92 89.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.509 -0.745 . . . . 0.0 109.541 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.11 -43.68 91.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.619 -0.676 . . . . 0.0 109.798 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.6 -46.29 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.339 -0.851 . . . . 0.0 109.727 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -70.01 -43.19 71.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.219 -0.926 . . . . 0.0 109.727 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' A' ' 55' ' ' TRP . . . -64.62 -36.61 84.82 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.426 -0.796 . . . . 0.0 109.308 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -66.88 -42.41 85.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.531 -0.731 . . . . 0.0 109.758 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -70.12 -16.52 63.12 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.455 -0.778 . . . . 0.0 110.292 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -107.82 -31.05 8.19 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.326 -0.859 . . . . 0.0 110.363 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.9 mt -94.82 -40.9 9.5 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.081 -1.012 . . . . 0.0 111.168 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.598 ' N ' ' HD2' ' A' ' 65' ' ' PRO . 6.4 tp -53.37 -50.01 85.12 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.181 -0.95 . . . . 0.0 110.836 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 64' ' ' LEU . 19.0 Cg_endo -58.12 -37.96 93.46 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.442 1.428 . . . . 0.0 111.997 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -69.47 -44.33 71.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.596 -0.69 . . . . 0.0 109.834 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 22.0 mmt -66.43 -40.93 89.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.607 -0.683 . . . . 0.0 109.447 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 72' ' ' GLY . 82.7 mt -64.73 -39.97 94.54 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.552 -0.717 . . . . 0.0 109.629 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -62.72 -40.79 98.29 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.355 -0.84 . . . . 0.0 109.48 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.51 -43.16 94.96 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.434 -0.791 . . . . 0.0 109.288 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.49 ' OD2' ' CZ ' ' A' ' 28' ' ' ARG . 97.7 m-20 -85.37 -76.68 0.31 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.364 -0.835 . . . . 0.0 109.564 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 68' ' ' LEU . . . -159.04 -110.96 0.29 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -162.63 127.12 3.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.383 -1.069 . . . . 0.0 109.779 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.77 151.7 40.12 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.528 -0.732 . . . . 0.0 109.937 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.84 -80.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.736 2.291 . . . . 0.0 112.42 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -84.44 140.85 31.22 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.966 0.888 . . . . 0.0 110.133 -179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -64.94 -31.13 72.22 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -94.5 119.57 33.4 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.292 -0.88 . . . . 0.0 109.597 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.5 p -81.27 167.78 19.17 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.89 0.852 . . . . 0.0 110.493 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.481 ' O ' ' CB ' ' A' ' 81' ' ' SER . 34.5 pt -82.6 -5.19 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.668 -0.645 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 80' ' ' ILE . 3.0 p 79.41 116.82 0.06 Allowed 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.665 0.745 . . . . 0.0 110.296 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -94.98 -15.9 23.18 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.612 HH11 ' CE1' ' A' ' 27' ' ' HIS . 84.5 mtp180 -126.54 11.74 7.39 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.48 45.09 0.62 Allowed Glycine 0 N--CA 1.498 2.817 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' A' ' 83' ' ' ARG . . . -65.07 145.95 55.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.417 -1.049 . . . . 0.0 110.11 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -80.06 155.38 27.59 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.696 0.76 . . . . 0.0 110.6 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.766 HD12 ' N ' ' A' ' 87' ' ' ILE . 1.9 mp -82.03 131.66 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 CA-C-O 121.862 0.839 . . . . 0.0 110.307 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.4 p -72.3 159.66 33.68 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.812 0.815 . . . . 0.0 110.374 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.158 -179.604 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 ttm . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.238 0.542 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.52 -61.91 0.34 Allowed Glycine 0 N--CA 1.489 2.214 0 N-CA-C 108.952 -1.659 . . . . 0.0 108.952 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.453 ' C ' ' HD1' ' A' ' 3' ' ' HIS . 5.4 t-80 45.36 68.75 0.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.499 -1.001 . . . . 0.0 109.616 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -132.64 120.0 21.18 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.682 -0.636 . . . . 0.0 109.289 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -96.49 -93.38 0.21 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 0.0 109.52 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -156.85 158.01 35.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 0.0 110.055 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -154.35 -46.26 0.09 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 44.43 85.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.586 -0.696 . . . . 0.0 109.677 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -72.59 143.24 48.3 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.602 0.715 . . . . 0.0 110.672 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -67.04 -40.47 87.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.661 -0.649 . . . . 0.0 109.869 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 tpt -51.56 143.51 12.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.515 -0.741 . . . . 0.0 110.252 -178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.503 HD11 ' CG ' ' A' ' 55' ' ' TRP . 5.8 mt -76.19 155.39 84.27 Favored Pre-proline 0 N--CA 1.487 1.402 0 O-C-N 121.507 -0.746 . . . . 0.0 109.204 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.84 156.98 0.38 Allowed 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.911 1.741 . . . . 0.0 112.495 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -60.05 -43.35 95.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.453 -0.779 . . . . 0.0 109.49 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -66.58 -38.33 86.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.433 -0.792 . . . . 0.0 109.664 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -63.41 -41.12 98.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.17 -43.47 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.379 -0.826 . . . . 0.0 109.636 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.67 -45.14 94.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.374 -0.829 . . . . 0.0 110.002 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.86 -45.66 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.205 -0.935 . . . . 0.0 109.64 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.73 -40.85 88.54 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.445 -0.784 . . . . 0.0 109.228 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.85 -39.97 96.02 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' A' ' 81' ' ' SER . 62.8 t0 -58.52 -49.27 78.0 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.296 -0.877 . . . . 0.0 109.819 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.569 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 62.9 t-105 -62.8 -46.27 88.77 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.302 -0.874 . . . . 0.0 109.164 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.412 HD13 ' NH2' ' A' ' 60' ' ' ARG . 46.4 tp -62.31 -41.0 98.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.464 -0.773 . . . . 0.0 108.946 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CD2' ' NH1' ' A' ' 28' ' ' ARG . 52.8 t80 -60.05 -47.38 86.1 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.765 -0.585 . . . . 0.0 110.089 -178.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.0 -21.79 65.93 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.411 -0.806 . . . . 0.0 110.098 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.569 ' CE1' ' CE2' ' A' ' 23' ' ' TRP . 1.4 m80 -88.64 -85.88 0.18 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.163 -0.961 . . . . 0.0 110.412 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.571 ' NH1' ' CD2' ' A' ' 25' ' ' TYR . 89.3 mtm-85 46.12 -173.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.605 -0.684 . . . . 0.0 110.449 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 50.02 -82.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.375 0.607 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' ARG . 93.3 m-20 -68.67 -66.87 0.52 Allowed 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.596 -0.69 . . . . 0.0 109.805 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' ASN . . . 56.77 116.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.583 0.706 . . . . 0.0 110.269 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' SER . 7.3 p90 -152.93 66.04 5.94 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.34 -0.85 . . . . 0.0 109.212 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -45.02 84.32 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.624 2.216 . . . . 0.0 111.766 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' TYR . 11.4 p -81.24 168.95 17.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.433 -0.792 . . . . 0.0 110.538 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -62.78 -43.29 99.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.603 -0.686 . . . . 0.0 109.269 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -66.2 -39.86 89.97 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.415 -0.803 . . . . 0.0 109.473 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.557 ' CD ' ' HE1' ' A' ' 23' ' ' TRP . 80.4 tt0 -65.71 -46.07 80.37 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.282 -0.886 . . . . 0.0 109.611 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.37 -42.94 92.21 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.422 -0.799 . . . . 0.0 109.581 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.9 99.2 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.518 -0.739 . . . . 0.0 109.379 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.86 -44.97 91.52 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.414 -0.804 . . . . 0.0 109.966 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.94 -40.57 91.48 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.441 -0.787 . . . . 0.0 109.56 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 46' ' ' HIS . 78.2 p -62.12 -36.31 81.38 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.439 -0.788 . . . . 0.0 109.527 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -66.61 -42.33 87.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.219 -0.926 . . . . 0.0 109.634 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.47 -39.05 85.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.501 -0.749 . . . . 0.0 109.853 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.445 ' C ' ' H ' ' A' ' 47' ' ' LEU . 43.4 p -94.68 -4.56 47.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.337 -0.852 . . . . 0.0 109.088 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' SER . 86.4 t60 57.25 0.74 0.09 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.681 -0.637 . . . . 0.0 110.807 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' H ' ' C ' ' A' ' 45' ' ' THR . 82.3 mt -77.49 157.99 30.17 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.85 -1.156 . . . . 0.0 109.899 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -68.06 158.68 32.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.497 -0.752 . . . . 0.0 111.132 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.7 p -65.56 -35.71 81.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.619 -0.676 . . . . 0.0 109.748 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 50' ' ' LEU . 11.1 mp -62.97 -42.08 99.73 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.278 -0.889 . . . . 0.0 109.291 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.39 -46.62 72.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.311 -0.868 . . . . 0.0 110.03 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.01 -42.9 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.237 -0.915 . . . . 0.0 109.209 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.11 -58.6 7.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.586 -0.696 . . . . 0.0 110.254 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' N ' HD22 ' A' ' 54' ' ' ASN . 2.3 m120 -61.52 -40.73 95.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.316 -0.865 . . . . 0.0 109.425 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.503 ' CG ' HD11 ' A' ' 12' ' ' LEU . 81.1 t90 -59.5 -38.01 79.79 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.4 -0.813 . . . . 0.0 109.417 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -45.27 95.28 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.847 . . . . 0.0 110.162 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 57' ' ' ILE . 2.2 mp -62.2 -48.04 90.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.191 -0.943 . . . . 0.0 109.807 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -71.95 -46.21 58.29 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.252 -0.905 . . . . 0.0 110.218 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.01 85.81 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.542 -0.724 . . . . 0.0 110.32 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' NH2' HD13 ' A' ' 24' ' ' LEU . 59.6 ttm-85 -66.01 -43.26 88.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.031 -1.043 . . . . 0.0 109.992 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -73.69 -16.56 61.2 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.4 -0.812 . . . . 0.0 110.548 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -101.38 -43.96 5.78 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.256 -0.903 . . . . 0.0 109.95 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.97 -40.48 95.06 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.435 -0.79 . . . . 0.0 110.528 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CB ' ' CD ' ' A' ' 65' ' ' PRO . 3.4 mt -55.68 -64.67 2.0 Allowed Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.037 -1.039 . . . . 0.0 111.024 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 64' ' ' LEU . 9.8 Cg_endo -52.08 -46.1 34.67 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.88 1.72 . . . . 0.0 111.763 -178.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -71.45 -39.13 71.17 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.482 -0.761 . . . . 0.0 109.743 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.439 ' SD ' ' C ' ' A' ' 67' ' ' MET . 2.1 tmt? -64.42 -43.71 93.51 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.297 -0.877 . . . . 0.0 110.017 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.98 -43.73 94.87 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.292 -0.88 . . . . 0.0 109.727 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -73.24 -46.32 50.88 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.443 -0.785 . . . . 0.0 110.42 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.92 -43.33 88.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.334 -0.854 . . . . 0.0 109.395 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -84.58 -73.91 0.41 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.609 -0.682 . . . . 0.0 109.375 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.28 34.55 32.41 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.4 tttp 73.89 38.51 0.58 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.758 -0.848 . . . . 0.0 109.665 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.452 ' OD1' ' ND2' ' A' ' 76' ' ' ASN . 9.1 t70 -154.14 82.67 4.35 Favored Pre-proline 0 N--CA 1.49 1.534 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.434 ' O ' ' OD1' ' A' ' 76' ' ' ASN . 52.9 Cg_exo -54.34 138.37 72.94 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.61 2.207 . . . . 0.0 112.42 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.452 ' ND2' ' OD1' ' A' ' 74' ' ' ASP . 87.6 m-20 -154.12 -40.58 0.09 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.617 -0.677 . . . . 0.0 109.401 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.527 ' OE1' ' N ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -73.21 133.91 44.15 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 110.083 -179.22 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.527 ' N ' ' OE1' ' A' ' 77' ' ' GLN . 75.6 m-85 -67.81 131.11 44.92 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.407 -0.808 . . . . 0.0 110.234 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 t -151.03 35.8 0.6 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.8 tt -80.43 135.9 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.475 -0.766 . . . . 0.0 109.507 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.541 ' N ' ' OD2' ' A' ' 22' ' ' ASP . 10.8 p -59.69 135.71 57.76 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.392 -0.818 . . . . 0.0 110.288 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -99.7 7.36 45.19 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.3 ptt85 -53.36 139.6 29.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.414 -0.804 . . . . 0.0 110.583 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -54.45 94.2 0.02 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.26 145.34 51.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.45 -1.029 . . . . 0.0 110.192 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -69.77 135.34 49.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.439 -0.788 . . . . 0.0 110.009 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -138.47 132.01 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.566 -0.709 . . . . 0.0 109.417 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.5 m -71.76 148.56 46.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.327 -0.858 . . . . 0.0 110.209 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.774 -179.841 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 ttp . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.42 -179.3 53.55 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -105.95 101.59 11.07 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.557 -0.966 . . . . 0.0 109.709 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -167.99 80.88 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.508 -0.745 . . . . 0.0 109.104 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -99.7 4.69 45.66 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -59.46 -41.3 89.38 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.397 -0.814 . . . . 0.0 109.45 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -148.91 154.9 40.1 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.893 -1.129 . . . . 0.0 109.632 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -116.71 145.28 43.57 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 121.839 0.828 . . . . 0.0 110.105 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m 63.24 -164.73 0.25 Allowed 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.911 0.862 . . . . 0.0 111.087 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -139.08 62.22 1.54 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.315 -0.866 . . . . 0.0 108.975 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 98.1 mmm -83.16 141.49 31.9 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.718 0.77 . . . . 0.0 110.048 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -84.23 169.06 18.03 Favored Pre-proline 0 C--N 1.304 -1.395 0 O-C-N 121.797 -0.565 . . . . 0.0 109.982 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.83 151.38 77.57 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.891 2.394 . . . . 0.0 113.011 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -55.47 -36.42 66.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.574 -0.704 . . . . 0.0 109.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.48 -46.4 90.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.263 -0.898 . . . . 0.0 109.46 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -64.61 -40.19 95.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.45 -0.781 . . . . 0.0 109.263 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.19 -43.86 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.443 -0.786 . . . . 0.0 109.287 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -62.53 -44.57 96.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 0.0 109.521 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.84 -45.54 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.311 -0.868 . . . . 0.0 109.681 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.9 -39.82 87.53 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.452 -0.78 . . . . 0.0 109.623 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.76 -42.57 97.7 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.522 -0.736 . . . . 0.0 109.592 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.31 -52.62 64.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.379 -0.826 . . . . 0.0 110.083 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.568 ' CE2' ' ND1' ' A' ' 27' ' ' HIS . 88.8 t90 -58.03 -40.91 82.04 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 25' ' ' TYR . 58.0 tp -73.28 -43.27 61.3 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 118.313 -1.355 . . . . 0.0 113.962 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.467 ' CE1' ' NH1' ' A' ' 28' ' ' ARG . 90.3 t80 -54.86 -51.24 66.53 Favored 'General case' 0 N--CA 1.533 3.721 0 O-C-N 116.567 -3.833 . . . . 0.0 108.342 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' OE2' ' CE1' ' A' ' 27' ' ' HIS . 12.7 pt-20 -61.94 -22.47 65.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.749 -1.219 . . . . 0.0 110.596 178.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.568 ' ND1' ' CE2' ' A' ' 23' ' ' TRP . 36.9 m80 -117.82 33.64 5.54 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.16 -0.963 . . . . 0.0 109.382 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' NH1' ' CE1' ' A' ' 25' ' ' TYR . 34.9 ptt180 -65.86 -38.07 87.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.398 -0.814 . . . . 0.0 109.315 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -91.69 -17.66 25.13 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.336 -0.853 . . . . 0.0 109.276 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 32' ' ' TYR . 82.9 m-20 -91.65 12.06 22.36 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.41 86.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.718 0.77 . . . . 0.0 109.754 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.549 ' N ' ' O ' ' A' ' 30' ' ' ASN . 56.3 m-85 -141.52 70.51 26.13 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -44.45 82.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.942 2.428 . . . . 0.0 111.892 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 32' ' ' TYR . 17.2 m -95.32 -174.28 3.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.366 -0.833 . . . . 0.0 110.255 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.54 -42.1 83.26 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.613 0.72 . . . . 0.0 110.29 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -79.56 -39.87 30.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.298 -0.876 . . . . 0.0 109.768 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.565 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 12.6 mp0 -65.04 -49.01 71.8 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.318 -0.864 . . . . 0.0 109.911 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' A' ' 39' ' ' ALA . 18.4 ptmt -65.21 -40.04 93.62 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.314 -0.866 . . . . 0.0 109.398 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 38' ' ' LYS . . . -65.48 -37.78 87.83 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.625 0.726 . . . . 0.0 109.17 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.9 tt -62.64 -46.59 87.55 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.869 0.842 . . . . 0.0 109.378 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.483 HD21 ' CG ' ' A' ' 23' ' ' TRP . 97.2 mt -63.52 -43.96 95.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 0.0 109.903 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 49' ' ' THR . 73.4 m -64.73 -40.51 95.46 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.401 -0.812 . . . . 0.0 109.628 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -65.7 -40.19 92.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.374 -0.829 . . . . 0.0 109.514 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -64.88 -39.76 94.05 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.215 -0.928 . . . . 0.0 109.438 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -96.77 169.84 9.59 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.956 0.884 . . . . 0.0 109.758 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -99.64 28.58 4.58 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.6 mt -115.6 154.02 30.19 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.865 0.841 . . . . 0.0 109.955 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 m -72.03 166.0 23.11 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.79 0.805 . . . . 0.0 110.28 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.468 HG22 ' OG ' ' A' ' 42' ' ' SER . 46.2 p -65.2 -32.01 73.48 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.663 0.744 . . . . 0.0 109.272 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 tp -62.94 -42.6 99.86 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.32 -0.863 . . . . 0.0 109.499 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -66.46 -42.14 88.02 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.44 -0.787 . . . . 0.0 109.778 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.67 -42.33 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.444 -0.785 . . . . 0.0 109.659 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.589 ' SG ' ' NH1' ' A' ' 82' ' ' ARG . 7.1 t -56.5 -45.75 80.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.26 -0.9 . . . . 0.0 109.898 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -63.9 -44.14 93.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 109.837 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -67.57 -40.43 84.89 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.396 -0.815 . . . . 0.0 110.066 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.07 -43.65 95.3 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.42 -0.8 . . . . 0.0 110.091 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.06 -45.27 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.23 -0.918 . . . . 0.0 110.015 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.567 ' ND2' ' NE ' ' A' ' 62' ' ' ARG . 1.4 t-20 -72.62 -46.02 56.19 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 122.049 0.928 . . . . 0.0 109.933 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.56 81.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.086 -1.009 . . . . 0.0 109.558 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.759 HH12 ' H ' ' A' ' 79' ' ' THR . 67.6 ttp85 -63.67 -57.68 9.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.374 -0.829 . . . . 0.0 109.908 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.46 -8.23 8.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.403 -0.81 . . . . 0.0 109.803 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.567 ' NE ' ' ND2' ' A' ' 58' ' ' ASN . 82.7 mtm180 -102.76 -25.63 13.45 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.449 -0.782 . . . . 0.0 109.481 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' LEU . 79.9 mt -101.21 -56.84 2.21 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.069 -1.02 . . . . 0.0 110.4 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' N ' ' HD2' ' A' ' 65' ' ' PRO . 4.0 mm? -39.72 -57.54 2.5 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.714 -0.616 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 64' ' ' LEU . 24.3 Cg_exo -38.65 -47.85 2.62 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 121.66 1.574 . . . . 0.0 111.551 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.3 -50.18 72.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.603 0.716 . . . . 0.0 109.902 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.577 ' SD ' ' N ' ' A' ' 67' ' ' MET . 1.9 mpp? -65.87 -42.71 90.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.21 -0.931 . . . . 0.0 109.854 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.01 -39.84 90.62 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 109.841 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -58.56 -41.32 85.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.313 -0.867 . . . . 0.0 108.738 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -62.15 -43.57 98.54 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.286 -0.884 . . . . 0.0 108.85 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -160.45 86.41 0.74 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.391 -0.818 . . . . 0.0 109.67 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.61 102.77 0.93 Allowed Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.986 -1.245 . . . . 0.0 109.986 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -70.52 -97.94 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.594 -0.945 . . . . 0.0 110.685 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.639 ' H ' ' CD ' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -107.0 -40.42 0.15 Allowed Pre-proline 0 N--CA 1.499 1.995 0 O-C-N 121.586 -0.696 . . . . 0.0 110.486 -179.274 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.639 ' CD ' ' H ' ' A' ' 74' ' ' ASP . 74.4 Cg_endo -83.73 139.89 8.98 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 C-N-CA 122.54 2.16 . . . . 0.0 112.976 -177.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -94.29 -170.22 2.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.483 -0.761 . . . . 0.0 110.193 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -48.79 -87.73 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.524 0.678 . . . . 0.0 110.892 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -74.13 128.89 36.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.355 -0.841 . . . . 0.0 110.214 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.759 ' H ' HH12 ' A' ' 60' ' ' ARG . 21.9 p -84.24 166.74 17.26 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.751 0.786 . . . . 0.0 110.177 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.6 mm -93.74 122.69 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-O 122.05 0.928 . . . . 0.0 110.159 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t 41.4 -160.71 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.868 0.842 . . . . 0.0 110.935 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.589 ' NH1' ' SG ' ' A' ' 53' ' ' CYS . 25.6 mmm180 -70.65 148.29 48.23 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.713 0.768 . . . . 0.0 110.06 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 82' ' ' ARG . 89.4 mtm-85 58.36 133.33 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.087 0.946 . . . . 0.0 110.645 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.45 -177.17 1.11 Allowed Glycine 0 N--CA 1.486 1.976 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.08 147.78 51.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.709 -0.877 . . . . 0.0 110.558 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -71.32 145.35 49.53 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.888 0.851 . . . . 0.0 110.649 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.7 mt -81.42 130.46 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 CA-C-O 121.842 0.829 . . . . 0.0 110.119 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 85.1 p -74.11 160.92 30.56 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.748 0.785 . . . . 0.0 110.6 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.093 -179.876 . . . . . . . . 0 0 . 1 stop_ save_