data_1lkj_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 1lkj _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.101 0.476 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -58.06 -41.55 83.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.32 -0.862 . . . . 0.0 110.282 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.92 -46.05 89.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.865 . . . . 0.0 109.988 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.424 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.1 mm100 -67.6 -45.18 76.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.5 -0.75 . . . . 0.0 109.971 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.99 -28.63 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.44 -0.788 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.36 -40.77 77.29 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.851 . . . . 0.0 110.124 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -65.23 -46.82 79.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.332 -0.855 . . . . 0.0 110.187 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 19.5 m-85 -62.4 -36.73 83.24 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.363 -0.835 . . . . 0.0 110.054 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -62.05 -40.3 95.29 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.439 -0.788 . . . . 0.0 110.178 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.05 -46.89 79.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.463 -0.773 . . . . 0.0 110.269 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.03 -34.92 71.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.358 -0.839 . . . . 0.0 110.26 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -70.12 -44.32 69.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.134 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.96 -27.32 66.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 110.196 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.09 -46.48 90.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.365 -0.834 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.421 ' CZ ' HG23 ' A' ' 34' ' ' THR . 50.0 m-85 -83.68 -27.72 28.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.4 -0.813 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.277 -0.889 . . . . 0.0 109.925 179.845 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.4 m -141.94 141.92 32.98 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.394 -1.062 . . . . 0.0 110.195 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.2 pt -126.84 154.92 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 110.231 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -79.99 160.1 26.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.402 -0.811 . . . . 0.0 110.216 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -63.05 -28.87 70.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.348 -0.845 . . . . 0.0 110.176 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.3 m -60.74 -28.58 68.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.0 110.222 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -96.59 -15.12 21.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.381 -0.824 . . . . 0.0 110.421 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 tp -57.4 -51.52 69.07 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.284 -0.885 . . . . 0.0 110.226 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.1 -39.73 79.35 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.325 -0.859 . . . . 0.0 110.243 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.421 HG23 ' CZ ' ' A' ' 19' ' ' PHE . 62.5 m -68.78 -40.34 79.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.376 -0.827 . . . . 0.0 110.087 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.59 -32.9 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 109.887 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.9 mtt -73.18 -36.58 66.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.37 -0.831 . . . . 0.0 109.875 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -66.7 -32.83 74.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.467 -0.771 . . . . 0.0 110.198 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.86 -28.9 39.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.336 -0.853 . . . . 0.0 110.16 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.35 -25.66 61.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.356 -0.84 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.87 36.15 0.64 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 mt -123.55 177.84 5.47 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.28 -1.129 . . . . 0.0 110.109 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 p -168.66 64.03 0.58 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.387 -0.821 . . . . 0.0 110.184 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.25 137.42 25.95 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 O-C-N 123.696 1.367 . . . . 0.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.54 168.04 5.05 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.421 -0.799 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.23 -25.96 59.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.255 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -40.1 68.32 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.427 -0.796 . . . . 0.0 109.995 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -69.55 -37.57 77.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.377 -0.827 . . . . 0.0 109.966 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.0 -38.16 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.351 -0.843 . . . . 0.0 109.877 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.96 -43.57 87.51 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.384 -0.823 . . . . 0.0 109.957 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -62.8 -44.59 95.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.351 -0.843 . . . . 0.0 109.982 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.55 -43.99 83.6 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 110.052 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.8 mtt -65.68 -29.02 69.51 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.31 -0.869 . . . . 0.0 109.964 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -66.99 -45.07 78.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.415 -0.803 . . . . 0.0 109.897 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.08 -36.89 85.51 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.388 -0.82 . . . . 0.0 109.879 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.0 mt -77.71 -57.59 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.445 -0.784 . . . . 0.0 109.799 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.41 -0.806 . . . . 0.0 110.185 -179.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.129 0.49 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.5 mt -79.94 124.4 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.315 -0.866 . . . . 0.0 110.31 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.74 160.17 15.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.433 -0.792 . . . . 0.0 109.949 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' A' ' 69' ' ' LEU . 13.5 t80 -55.07 -25.55 31.8 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.288 -0.883 . . . . 0.0 110.422 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.2 p -73.75 -52.89 11.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.283 -0.886 . . . . 0.0 110.023 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -66.42 -31.47 72.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.43 -0.794 . . . . 0.0 110.035 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -68.12 -47.18 68.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.359 -0.838 . . . . 0.0 110.083 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.416 HD12 ' CE2' ' A' ' 65' ' ' PHE . 56.7 mt -60.53 -37.19 80.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.272 -0.892 . . . . 0.0 110.053 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.41 75.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.406 -0.809 . . . . 0.0 110.074 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.08 -36.34 83.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.349 -0.844 . . . . 0.0 109.987 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.414 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 94.0 mmm -69.69 -37.68 76.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.319 -0.863 . . . . 0.0 109.901 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.397 -0.815 . . . . 0.0 110.076 179.789 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.178 0.514 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -34.9 68.87 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.384 -0.822 . . . . 0.0 110.235 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -62.28 -39.92 94.53 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 110.121 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -44.44 80.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.364 -0.835 . . . . 0.0 110.052 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.54 -33.08 74.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.443 -0.785 . . . . 0.0 110.159 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.37 -46.01 74.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.424 -0.797 . . . . 0.0 110.121 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.89 83.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.447 -0.783 . . . . 0.0 110.179 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -61.55 -28.93 69.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.433 -0.792 . . . . 0.0 110.165 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -42.06 75.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.355 -0.841 . . . . 0.0 110.047 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.39 -43.99 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.393 -0.817 . . . . 0.0 109.956 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -66.06 -28.81 69.12 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.384 -0.822 . . . . 0.0 110.146 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -86.04 97.75 10.46 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.324 -0.86 . . . . 0.0 110.153 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -70.21 -26.69 63.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.457 -0.777 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -59.73 -64.96 0.76 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.813 . . . . 0.0 110.226 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.1 -29.67 2.61 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.9 -52.21 15.6 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.356 -1.085 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.0 47.02 0.1 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 51.7 mt -116.21 131.75 56.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.373 -1.075 . . . . 0.0 110.129 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.0 pt -146.2 160.26 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 0.0 110.226 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.7 m -79.8 160.18 26.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.363 -0.836 . . . . 0.0 110.029 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.47 49.65 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.287 -0.883 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.29 -51.64 62.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.368 -0.832 . . . . 0.0 109.985 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.89 -31.02 72.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.854 . . . . 0.0 110.008 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.42 HD21 ' CE2' ' A' ' 140' ' ' PHE . 24.9 tp -68.48 -40.75 80.86 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.829 . . . . 0.0 110.032 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -67.23 -39.34 86.23 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 0.0 110.069 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -66.4 -40.36 89.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.409 -0.807 . . . . 0.0 110.228 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.59 -39.33 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.412 -0.805 . . . . 0.0 110.038 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -33.26 75.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.284 -0.885 . . . . 0.0 110.108 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 m -76.9 -40.96 45.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.394 -0.816 . . . . 0.0 110.194 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.0 m -61.81 -44.23 97.27 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.388 -0.82 . . . . 0.0 110.072 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.8 -26.64 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.356 -0.84 . . . . 0.0 110.108 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.57 28.17 25.14 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 134.58 47.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.408 -1.054 . . . . 0.0 110.069 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.4 tpmp? -77.11 63.97 2.47 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.34 -0.85 . . . . 0.0 110.202 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.81 100.86 5.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.388 -0.82 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.0 p -63.05 -167.25 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.389 -0.819 . . . . 0.0 110.169 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.68 -31.58 65.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.851 . . . . 0.0 110.142 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.98 97.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.367 -0.833 . . . . 0.0 110.01 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -62.56 -53.22 57.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 110.075 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.18 -28.68 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.849 . . . . 0.0 110.003 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.09 -48.5 65.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.382 -0.824 . . . . 0.0 109.994 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.62 -33.58 75.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.5 ttp -76.42 -31.23 57.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 109.976 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.4 mt -69.83 -33.59 72.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.406 -0.809 . . . . 0.0 110.078 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -65.23 -39.7 93.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.84 . . . . 0.0 110.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.08 -27.3 39.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.322 -0.861 . . . . 0.0 110.383 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 59.5 t -91.07 -57.65 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.247 -0.908 . . . . 0.0 110.212 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.5 m -56.9 130.64 46.74 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.381 -0.824 . . . . 0.0 110.323 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.0 -32.49 7.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.846 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 136.07 54.15 0.06 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.8 t -132.2 -67.92 0.64 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.325 -1.103 . . . . 0.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.68 -49.49 0.47 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.616 -1.393 . . . . 0.0 109.616 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -99.28 129.94 45.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.307 -1.114 . . . . 0.0 110.213 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 84.6 mt -100.55 154.43 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.45 135.38 33.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.341 -0.85 . . . . 0.0 110.2 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.7 pt -73.87 -17.96 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.371 -0.831 . . . . 0.0 110.477 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.94 -54.12 49.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.908 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -68.66 -42.01 78.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.38 -0.825 . . . . 0.0 110.205 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.42 ' CE2' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.63 -40.98 93.12 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.37 -0.831 . . . . 0.0 110.056 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.45 87.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.186 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.65 -39.66 76.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.37 -0.831 . . . . 0.0 110.198 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.54 -34.69 74.5 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.343 -0.848 . . . . 0.0 110.234 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.71 -33.34 41.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.334 -0.854 . . . . 0.0 110.335 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.395 -0.815 . . . . 0.0 110.397 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.083 0.468 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.09 -35.45 78.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.347 -0.845 . . . . 0.0 110.138 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.87 -39.95 79.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.449 -0.782 . . . . 0.0 110.016 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 18.2 mm-40 -69.41 -43.46 73.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.31 -32.4 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.326 -0.859 . . . . 0.0 110.092 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.48 70.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.391 -0.818 . . . . 0.0 110.095 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -68.52 -48.53 64.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.388 -0.82 . . . . 0.0 110.127 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.457 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 25.8 m-85 -61.27 -38.54 87.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 110.069 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 9.2 ttmt -61.8 -41.7 98.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.421 -0.799 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.9 -49.26 78.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.337 -0.852 . . . . 0.0 110.319 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.58 -27.2 63.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.403 -0.811 . . . . 0.0 110.259 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -76.16 -41.88 48.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.268 -0.895 . . . . 0.0 110.122 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.07 -28.09 65.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.327 -0.858 . . . . 0.0 110.129 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.43 -31.54 72.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.349 -0.844 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CZ ' HG23 ' A' ' 34' ' ' THR . 74.5 m-85 -107.4 28.29 8.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.416 -0.803 . . . . 0.0 110.245 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.2 t70 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.348 -0.845 . . . . 0.0 110.165 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -154.64 144.81 21.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.402 -1.058 . . . . 0.0 110.146 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.403 HD13 HG22 ' A' ' 27' ' ' ILE . 43.6 pt -125.84 159.98 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 0.0 110.239 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.4 m -84.72 160.07 20.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.44 -0.788 . . . . 0.0 110.248 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -38.05 82.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.434 -0.791 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.99 -28.04 62.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.414 -0.804 . . . . 0.0 110.278 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -90.71 -19.17 23.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.323 -0.861 . . . . 0.0 110.266 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.7 tp -54.68 -51.16 66.38 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -0.872 . . . . 0.0 110.454 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.28 -41.46 88.95 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.337 -0.852 . . . . 0.0 110.22 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.429 HG23 ' CZ ' ' A' ' 19' ' ' PHE . 44.3 m -66.93 -38.29 85.91 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.353 -0.842 . . . . 0.0 110.055 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.39 -38.59 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.411 -0.805 . . . . 0.0 109.927 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.0 mtt -68.21 -34.56 76.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.406 -0.809 . . . . 0.0 109.861 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -66.61 -35.02 79.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.39 -0.819 . . . . 0.0 110.183 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.26 -34.62 48.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.837 . . . . 0.0 110.185 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.19 -24.29 67.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.307 -0.87 . . . . 0.0 110.221 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.98 32.0 1.63 Allowed Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.8 mt -121.01 -178.59 3.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.368 -1.077 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -168.89 68.66 0.7 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.284 -0.885 . . . . 0.0 110.182 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.63 137.52 27.7 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.756 1.398 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.83 165.79 4.99 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.33 -0.856 . . . . 0.0 110.11 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -56.25 -28.27 57.93 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.04 -41.46 74.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 0.0 110.012 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -35.17 77.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.36 -0.837 . . . . 0.0 110.093 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.6 -41.4 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.373 -0.829 . . . . 0.0 110.016 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -61.76 -40.07 93.85 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.351 -0.843 . . . . 0.0 110.054 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -62.78 -49.07 76.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.297 -0.877 . . . . 0.0 110.094 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.39 -38.98 93.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.357 -0.84 . . . . 0.0 110.044 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.5 mtt -69.15 -29.35 67.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.434 -0.791 . . . . 0.0 109.999 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -68.05 -42.16 80.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.429 -0.794 . . . . 0.0 110.084 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -70.27 -32.17 69.86 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.413 -0.804 . . . . 0.0 110.052 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.7 mt -86.32 -59.05 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.396 -0.815 . . . . 0.0 109.964 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t0 . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.315 -0.865 . . . . 0.0 110.178 -179.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.185 0.516 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.6 mt -85.18 135.82 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.375 -0.828 . . . . 0.0 110.277 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -96.25 160.2 14.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.36 -0.837 . . . . 0.0 110.011 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CE2' HD12 ' A' ' 69' ' ' LEU . 15.8 t80 -57.72 -36.65 72.3 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.895 . . . . 0.0 110.279 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -62.78 -53.06 60.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.346 -0.846 . . . . 0.0 110.097 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.53 -29.81 70.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.413 -0.804 . . . . 0.0 110.046 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -69.22 -49.51 55.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.406 -0.809 . . . . 0.0 110.086 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 65' ' ' PHE . 44.9 mt -60.26 -32.2 70.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.282 -0.886 . . . . 0.0 110.057 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.14 -49.75 47.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.402 -0.811 . . . . 0.0 110.055 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.57 -36.74 79.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.324 -0.86 . . . . 0.0 110.104 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.457 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 92.5 mmm -69.05 -42.16 76.68 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.452 -0.78 . . . . 0.0 109.927 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.376 -0.828 . . . . 0.0 109.935 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.115 0.483 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.07 -33.41 64.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.384 -0.822 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -44.53 95.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.402 -0.811 . . . . 0.0 110.019 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -46.96 83.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 110.142 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.15 -33.71 72.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.452 -0.78 . . . . 0.0 110.234 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -68.66 -49.06 62.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.36 -0.838 . . . . 0.0 110.105 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.69 -40.93 98.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.339 -0.851 . . . . 0.0 110.211 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.427 ' CE1' HG11 ' A' ' 108' ' ' VAL . 8.0 m-85 -63.97 -32.86 74.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.358 -0.839 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -67.71 -44.22 78.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.307 -0.87 . . . . 0.0 110.265 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.2 t -60.97 -40.74 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.272 -0.892 . . . . 0.0 110.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 108' ' ' VAL . 10.1 m-85 -67.56 -27.34 66.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.294 -0.879 . . . . 0.0 110.159 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.46 142.86 42.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.399 -0.813 . . . . 0.0 110.239 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -108.88 41.17 1.65 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.32 -0.862 . . . . 0.0 110.259 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -158.3 -43.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.825 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.3 29.19 6.45 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -113.61 -17.15 12.23 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.344 -1.091 . . . . 0.0 110.518 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.77 47.94 2.83 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.7 mt -139.02 110.54 7.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.388 -1.066 . . . . 0.0 110.13 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.9 pt -125.97 160.36 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.377 -0.827 . . . . 0.0 110.199 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -79.8 160.21 26.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.164 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.34 -36.13 60.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.34 -0.85 . . . . 0.0 110.401 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.88 77.73 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.284 -0.885 . . . . 0.0 110.105 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.71 -35.29 79.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.359 -0.838 . . . . 0.0 109.951 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.413 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -62.25 -39.87 94.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.462 -0.774 . . . . 0.0 110.037 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -70.96 -35.83 72.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.349 -0.844 . . . . 0.0 110.161 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.44 -29.09 65.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.385 -0.822 . . . . 0.0 110.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.427 HG11 ' CE1' ' A' ' 89' ' ' PHE . 60.0 t -76.38 -41.82 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.296 -0.877 . . . . 0.0 109.95 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.74 -36.71 84.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.326 -0.859 . . . . 0.0 110.15 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.4 m -77.66 -28.8 51.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.373 -0.829 . . . . 0.0 110.192 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -74.39 -42.18 59.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.351 -0.843 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.39 -27.0 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.398 -0.814 . . . . 0.0 110.158 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.29 33.07 23.94 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.33 164.86 25.98 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.364 -1.08 . . . . 0.0 110.16 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.09 62.26 1.27 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.386 -0.821 . . . . 0.0 110.2 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.9 mt -125.57 112.26 15.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.851 . . . . 0.0 110.197 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 78.1 p -62.98 -174.17 0.07 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.378 -0.827 . . . . 0.0 110.164 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -77.74 -30.28 51.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.318 -0.864 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.41 96.42 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.419 -0.801 . . . . 0.0 110.2 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -61.41 -49.36 77.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.348 -0.845 . . . . 0.0 110.218 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.13 -27.93 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.339 -0.851 . . . . 0.0 110.069 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.84 -43.41 83.75 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.356 -0.84 . . . . 0.0 110.013 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -32.52 72.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.422 -0.799 . . . . 0.0 110.082 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.428 ' HE2' ' CE2' ' A' ' 140' ' ' PHE . 11.2 mtm -79.07 -26.68 43.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.342 -0.849 . . . . 0.0 110.26 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mt -71.61 -44.88 63.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.279 -0.888 . . . . 0.0 110.198 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -65.22 -31.1 72.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.346 -0.846 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.86 -28.67 39.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 0.0 110.367 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.18 -54.71 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.336 -0.852 . . . . 0.0 110.194 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.0 t -63.47 140.16 58.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.295 -0.878 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -115.07 36.47 3.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.352 -0.842 . . . . 0.0 110.195 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.47 36.91 78.19 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.9 m -118.4 -35.57 3.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -1.055 . . . . 0.0 110.188 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.06 -38.01 3.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -94.73 135.85 35.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.413 -1.051 . . . . 0.0 110.213 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 87.3 mt -123.35 144.1 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.391 -0.818 . . . . 0.0 110.149 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -82.98 126.01 32.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.373 -0.83 . . . . 0.0 110.165 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.404 HG21 ' CD1' ' A' ' 89' ' ' PHE . 18.1 pt -63.95 -21.77 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.385 -0.822 . . . . 0.0 110.354 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -61.98 -46.7 88.12 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.308 -0.87 . . . . 0.0 110.19 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -61.82 -52.39 64.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.389 -0.819 . . . . 0.0 110.203 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.428 ' CE2' ' HE2' ' A' ' 124' ' ' MET . 0.2 OUTLIER -62.61 -39.75 94.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.355 -0.84 . . . . 0.0 110.055 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.8 -33.86 76.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.42 -0.8 . . . . 0.0 110.185 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.69 62.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.384 -0.822 . . . . 0.0 110.214 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.34 -36.44 76.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.338 -0.851 . . . . 0.0 110.145 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 84.3 mt -78.24 -28.05 47.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.198 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.187 -179.913 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.227 0.536 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.54 -32.76 72.84 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.326 -0.859 . . . . 0.0 110.242 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -64.66 -52.11 59.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 110.092 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 56.3 mt-30 -62.8 -42.08 99.56 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.32 -0.862 . . . . 0.0 110.13 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -66.88 -36.28 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.317 -0.864 . . . . 0.0 109.991 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.22 82.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.351 -0.843 . . . . 0.0 110.091 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -47.87 66.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.397 -0.814 . . . . 0.0 110.158 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CE1' ' HE1' ' A' ' 72' ' ' MET . 24.5 m-85 -62.74 -38.28 89.9 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.286 -0.884 . . . . 0.0 110.003 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 2.1 ttmt -61.68 -39.63 92.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.379 -0.825 . . . . 0.0 110.149 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.98 -52.25 60.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.286 -0.884 . . . . 0.0 110.151 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.38 79.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 0.0 110.142 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.41 ' CZ ' HG12 ' A' ' 27' ' ' ILE . 9.7 t80 -71.3 -39.54 71.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.797 . . . . 0.0 110.091 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.65 -29.38 69.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 110.118 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.15 -38.0 87.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.464 -0.773 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -101.72 24.39 9.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 0.0 110.343 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.1 t70 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 110.11 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.5 p -139.16 154.63 48.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -1.061 . . . . 0.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.41 HG12 ' CZ ' ' A' ' 16' ' ' PHE . 40.8 pt -120.42 158.5 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.368 -0.833 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -80.76 158.96 25.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.383 -0.823 . . . . 0.0 110.269 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.39 -39.55 93.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.356 -0.84 . . . . 0.0 110.217 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.6 p -55.32 -27.2 45.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.364 -0.835 . . . . 0.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -91.4 -15.65 28.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 110.44 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.3 tp -55.15 -55.9 25.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.224 -0.922 . . . . 0.0 110.492 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.84 76.38 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.353 -0.842 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 m -66.87 -40.6 87.88 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.432 -0.792 . . . . 0.0 109.917 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.33 -41.14 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.272 -0.892 . . . . 0.0 109.587 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mtt -69.78 -28.02 65.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.407 -0.808 . . . . 0.0 109.518 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -38.51 88.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.451 -0.781 . . . . 0.0 109.905 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.3 m -80.15 -32.53 38.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.379 -0.825 . . . . 0.0 110.333 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.45 -26.07 68.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.413 -0.804 . . . . 0.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.06 32.65 2.16 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 mt -116.11 176.23 5.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -1.084 . . . . 0.0 110.177 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -166.34 68.79 1.09 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.406 -0.809 . . . . 0.0 110.078 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.64 137.41 27.48 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 O-C-N 123.77 1.405 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -62.09 171.06 1.9 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.401 -0.812 . . . . 0.0 110.082 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.0 -28.56 67.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.882 . . . . 0.0 110.133 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.51 -41.52 72.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 0.0 110.028 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.49 -38.62 87.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.457 -0.777 . . . . 0.0 110.142 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.7 t -66.33 -40.18 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.338 -0.851 . . . . 0.0 109.926 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -62.65 -38.32 89.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.4 -0.813 . . . . 0.0 110.144 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -63.28 -47.78 80.91 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.431 -0.793 . . . . 0.0 110.066 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.53 -41.66 96.23 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.386 -0.822 . . . . 0.0 110.078 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.0 mtt -69.25 -29.44 67.36 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.453 -0.779 . . . . 0.0 110.057 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.68 -38.09 80.08 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.115 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.86 -29.14 39.97 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.294 -0.879 . . . . 0.0 110.056 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.1 mt -89.29 -63.6 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.407 -0.808 . . . . 0.0 109.962 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.8 t0 . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.38 -0.825 . . . . 0.0 110.341 -179.839 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.165 0.507 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.1 mt -80.18 128.8 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.326 -0.858 . . . . 0.0 110.23 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.49 160.21 16.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.38 -0.825 . . . . 0.0 109.996 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.413 ' CE2' HD12 ' A' ' 69' ' ' LEU . 15.4 t80 -59.07 -30.36 68.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.297 -0.877 . . . . 0.0 110.3 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t -67.34 -54.36 21.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 110.134 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -63.14 -33.91 76.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.384 -0.823 . . . . 0.0 110.125 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.49 -49.71 72.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.133 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 65' ' ' PHE . 44.3 mt -60.6 -33.02 72.12 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.417 -0.802 . . . . 0.0 110.242 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.72 -48.09 49.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.404 -0.81 . . . . 0.0 110.129 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.8 mt -62.13 -41.05 97.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.409 -0.807 . . . . 0.0 110.036 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.426 ' HE1' ' CE1' ' A' ' 12' ' ' PHE . 72.8 mmm -65.79 -34.47 78.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.438 -0.789 . . . . 0.0 110.091 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.419 -0.801 . . . . 0.0 110.014 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.159 0.504 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -58.05 -33.06 68.61 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -0.798 . . . . 0.0 110.223 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.95 -43.02 80.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.132 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -42.65 97.47 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.407 -0.808 . . . . 0.0 110.066 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.29 -33.6 74.96 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.391 -0.818 . . . . 0.0 109.988 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -49.24 71.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.446 -0.784 . . . . 0.0 110.199 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.09 99.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.39 -0.819 . . . . 0.0 110.173 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -64.32 -33.76 76.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.315 -0.866 . . . . 0.0 110.109 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -43.3 95.35 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.308 -0.87 . . . . 0.0 109.965 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.8 t -64.15 -37.93 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.431 -0.793 . . . . 0.0 110.002 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -79.97 -14.91 58.23 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.392 -0.817 . . . . 0.0 110.484 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -57.33 129.92 43.96 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.247 -0.908 . . . . 0.0 110.369 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -109.12 26.23 10.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.294 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -134.32 -59.85 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.337 -0.852 . . . . 0.0 110.106 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.89 -28.76 1.14 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -99.74 -38.45 8.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.415 -1.05 . . . . 0.0 110.323 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.74 67.0 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.6 mt -131.93 108.33 9.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.324 -1.103 . . . . 0.0 110.108 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.5 pt -128.62 160.16 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.33 -0.856 . . . . 0.0 110.184 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.1 t -79.89 160.18 26.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.367 -0.833 . . . . 0.0 110.119 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.72 -26.7 14.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.302 -0.874 . . . . 0.0 110.569 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -50.78 60.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -65.61 -33.33 75.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 110.052 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.421 ' CD2' ' CZ ' ' A' ' 140' ' ' PHE . 1.2 tp -68.86 -32.67 72.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.0 110.172 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -73.23 -42.2 62.87 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 110.166 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -66.44 -29.29 69.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.427 -0.796 . . . . 0.0 110.215 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.6 t -79.19 -43.43 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.328 -0.857 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.01 -29.89 70.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.35 -0.844 . . . . 0.0 110.183 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.8 m -79.2 -29.37 42.84 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.332 -0.855 . . . . 0.0 110.133 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 m -77.48 -37.48 51.17 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.35 -0.844 . . . . 0.0 110.144 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.05 -27.1 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.36 -0.837 . . . . 0.0 110.174 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.62 28.87 25.65 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.79 -12.56 61.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.345 -1.091 . . . . 0.0 110.349 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 tttt 54.94 47.47 22.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.194 -0.941 . . . . 0.0 110.402 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt -99.66 115.51 29.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.397 -0.814 . . . . 0.0 110.227 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -61.21 162.81 7.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 110.163 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.36 -33.35 73.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.289 -0.882 . . . . 0.0 110.203 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.24 86.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.317 -0.864 . . . . 0.0 110.177 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.44 -52.33 47.46 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.405 -0.81 . . . . 0.0 110.108 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.45 -29.23 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.359 -0.838 . . . . 0.0 109.95 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -65.93 -43.23 88.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.382 -0.824 . . . . 0.0 109.956 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.2 -31.84 69.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.345 -0.847 . . . . 0.0 110.067 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.416 ' HE1' ' CE1' ' A' ' 140' ' ' PHE . 1.1 ttp -79.98 -29.69 39.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.44 -0.787 . . . . 0.0 110.144 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.406 ' CD2' ' CD1' ' A' ' 135' ' ' ILE . 12.8 mt -72.82 -33.52 66.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.338 -0.851 . . . . 0.0 110.235 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -66.24 -37.34 85.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -0.842 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -80.2 -29.82 38.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.343 -0.848 . . . . 0.0 110.324 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.6 t -90.4 -57.61 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.401 -0.812 . . . . 0.0 110.23 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 t -59.98 142.62 53.52 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.346 -0.847 . . . . 0.0 110.236 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -115.26 -44.41 3.0 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.95 -24.08 0.71 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.1 m -56.66 -27.33 58.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.298 -1.119 . . . . 0.0 110.458 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.33 31.12 6.63 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -154.32 129.35 9.55 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.382 -1.069 . . . . 0.0 110.173 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.406 ' CD1' ' CD2' ' A' ' 125' ' ' LEU . 86.1 mt -112.84 147.36 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.09 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -93.91 122.48 36.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.437 -0.789 . . . . 0.0 110.188 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.3 pp -61.18 -21.43 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.327 -0.858 . . . . 0.0 110.362 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -60.15 -54.66 43.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.33 -0.856 . . . . 0.0 110.179 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.75 -36.04 82.56 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.84 . . . . 0.0 110.142 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.421 ' CZ ' ' CD2' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -70.47 -40.09 73.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.387 -0.82 . . . . 0.0 109.998 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.63 -33.34 75.4 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.341 -0.849 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.53 -32.18 42.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.324 -0.86 . . . . 0.0 110.142 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.38 -35.33 80.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.328 -0.858 . . . . 0.0 110.231 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.2 mt -79.37 -30.92 42.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.287 -0.883 . . . . 0.0 110.229 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.321 -0.862 . . . . 0.0 110.254 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.222 0.534 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.01 -37.55 85.3 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.357 -0.839 . . . . 0.0 110.19 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.34 -43.34 91.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.377 -0.827 . . . . 0.0 110.056 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 25.4 mm-40 -67.56 -45.02 76.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.43 -0.794 . . . . 0.0 110.132 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.9 mt -65.64 -28.51 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.323 -0.86 . . . . 0.0 109.948 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.27 -37.04 71.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.28 -0.888 . . . . 0.0 110.076 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -66.78 -47.69 71.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.321 -0.862 . . . . 0.0 110.097 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 26.3 m-85 -61.82 -39.14 90.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.311 -0.868 . . . . 0.0 110.054 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -60.25 -40.45 90.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 0.0 110.146 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.11 -53.61 53.0 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.117 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.28 -30.51 70.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.38 -0.825 . . . . 0.0 110.151 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CZ ' HG12 ' A' ' 27' ' ' ILE . 14.2 t80 -74.25 -39.6 62.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.353 -0.842 . . . . 0.0 110.273 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.95 66.58 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.33 -0.856 . . . . 0.0 110.147 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.66 -39.72 95.04 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.371 -0.831 . . . . 0.0 110.283 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CZ ' HG21 ' A' ' 34' ' ' THR . 92.9 m-85 -102.23 25.43 8.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.332 -0.855 . . . . 0.0 110.131 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.336 -0.852 . . . . 0.0 110.163 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -157.76 142.6 16.58 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.402 -1.057 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.42 HG12 ' CZ ' ' A' ' 16' ' ' PHE . 43.5 pt -120.51 157.24 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.376 -0.828 . . . . 0.0 110.256 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.09 159.07 22.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.425 -0.797 . . . . 0.0 110.193 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -60.84 -27.5 68.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -0.805 . . . . 0.0 110.13 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 p -63.54 -30.41 71.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.361 -0.837 . . . . 0.0 110.185 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -94.02 -14.83 25.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 0.0 110.51 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.5 tp -53.26 -57.87 9.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.207 -0.933 . . . . 0.0 110.459 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.03 -35.92 71.99 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.265 -0.897 . . . . 0.0 110.218 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.415 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 40.9 m -67.57 -36.02 80.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.315 -0.866 . . . . 0.0 110.034 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.41 HG13 ' CZ ' ' A' ' 68' ' ' PHE . 98.1 t -62.3 -44.93 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.439 -0.788 . . . . 0.0 109.805 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.5 mtt -64.01 -34.96 79.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.44 -0.787 . . . . 0.0 109.9 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -61.31 -40.55 94.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.395 -0.816 . . . . 0.0 110.053 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 m -75.97 -33.84 59.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.415 -0.803 . . . . 0.0 110.078 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.9 -23.31 66.24 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.394 -0.817 . . . . 0.0 110.224 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.48 34.91 0.68 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.5 mt -127.53 178.11 6.31 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.257 -1.143 . . . . 0.0 110.117 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 t -167.35 67.19 0.86 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.391 -0.818 . . . . 0.0 110.207 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -75.22 137.33 21.1 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 O-C-N 123.725 1.382 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.3 173.46 1.17 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.45 -0.781 . . . . 0.0 110.013 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.04 -28.73 66.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -0.861 . . . . 0.0 110.191 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.4 -43.35 77.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.453 -0.779 . . . . 0.0 109.983 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.8 -42.04 95.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -0.839 . . . . 0.0 109.989 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.89 -39.15 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.345 -0.847 . . . . 0.0 109.867 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -62.47 -40.72 97.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.421 -0.799 . . . . 0.0 109.908 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.17 -47.01 88.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.392 -0.817 . . . . 0.0 110.044 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.77 -46.48 90.3 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.434 -0.791 . . . . 0.0 109.884 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 mtt -66.17 -28.65 68.93 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -0.839 . . . . 0.0 109.84 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -65.55 -37.6 87.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.311 -0.868 . . . . 0.0 109.714 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -74.14 -38.28 63.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.452 -0.78 . . . . 0.0 109.896 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -82.15 -63.79 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.404 -0.81 . . . . 0.0 109.858 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.382 -0.824 . . . . 0.0 110.236 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.14 0.495 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.415 HG23 HD13 ' A' ' 63' ' ' ILE . 80.7 mt -104.01 121.83 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.369 -0.832 . . . . 0.0 110.169 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -89.25 160.21 17.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.381 -0.824 . . . . 0.0 110.133 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.412 ' CE2' HD13 ' A' ' 69' ' ' LEU . 18.7 t80 -56.43 -30.48 62.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.297 -0.877 . . . . 0.0 110.267 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -64.9 -60.01 3.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.824 . . . . 0.0 110.1 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.18 -33.14 73.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.397 -0.815 . . . . 0.0 110.084 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.41 ' CZ ' HG13 ' A' ' 35' ' ' VAL . 75.3 t80 -63.25 -47.65 81.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.085 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 65' ' ' PHE . 36.9 mt -59.53 -42.45 92.35 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.319 -0.863 . . . . 0.0 110.12 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.33 86.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.286 -0.884 . . . . 0.0 110.054 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.1 -32.84 73.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.093 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.6 mmm -72.68 -35.93 67.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.336 -0.852 . . . . 0.0 110.026 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.493 1.675 0 O-C-N 121.455 -0.778 . . . . 0.0 110.182 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 121.12 0.486 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -55.66 -40.21 71.94 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.381 -0.824 . . . . 0.0 110.397 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.16 -44.45 92.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.263 -0.898 . . . . 0.0 110.137 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.01 -41.56 99.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.352 -0.843 . . . . 0.0 110.211 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.0 mt -62.28 -32.89 73.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.463 -0.773 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -67.87 -47.05 69.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.31 -0.869 . . . . 0.0 110.225 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.76 90.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.351 -0.843 . . . . 0.0 110.215 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.426 ' CD1' HG22 ' A' ' 137' ' ' ILE . 12.9 m-85 -62.56 -35.45 79.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.39 -0.819 . . . . 0.0 110.211 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -63.56 -44.34 94.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.393 -0.817 . . . . 0.0 110.173 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.83 -38.83 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.396 -0.815 . . . . 0.0 110.051 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.453 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.7 m-85 -73.54 -26.59 60.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.319 -0.863 . . . . 0.0 110.251 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -61.07 133.94 56.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.263 -0.898 . . . . 0.0 110.229 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -103.11 -31.87 9.95 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.348 -0.845 . . . . 0.0 110.168 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -33.79 70.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.292 -0.88 . . . . 0.0 110.234 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.49 -30.05 7.83 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -77.76 -67.36 0.73 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.361 -1.082 . . . . 0.0 110.187 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.58 55.82 0.01 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 mt -130.43 108.59 10.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.412 -1.052 . . . . 0.0 110.22 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.98 160.23 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.339 -0.851 . . . . 0.0 110.235 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -79.72 160.24 26.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.442 -0.786 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.82 -34.87 60.57 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.283 -0.886 . . . . 0.0 110.46 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.12 -52.53 64.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.41 -0.806 . . . . 0.0 110.181 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.76 -30.08 71.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.243 -0.91 . . . . 0.0 110.035 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -42.37 75.12 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.391 -0.818 . . . . 0.0 110.157 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -65.2 -42.35 93.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.41 -0.806 . . . . 0.0 110.085 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -61.81 -36.25 80.58 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.346 -0.847 . . . . 0.0 110.087 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.453 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 73.6 t -71.2 -36.66 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.385 -0.822 . . . . 0.0 110.075 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.9 -29.27 69.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.438 -0.789 . . . . 0.0 110.26 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 m -78.54 -34.79 46.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.431 -0.793 . . . . 0.0 110.262 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 t -69.11 -40.92 78.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.313 -0.867 . . . . 0.0 110.223 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.78 -27.25 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.409 -0.807 . . . . 0.0 110.11 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.35 33.6 25.26 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -74.78 146.33 42.19 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.327 -1.101 . . . . 0.0 110.115 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.81 63.81 7.0 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.393 -0.817 . . . . 0.0 110.298 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.1 mt -109.88 114.75 28.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.848 . . . . 0.0 110.173 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -62.17 159.97 13.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.363 -0.836 . . . . 0.0 110.227 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.16 -28.3 69.03 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.395 -0.815 . . . . 0.0 110.131 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.88 -32.86 73.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.419 -0.801 . . . . 0.0 110.144 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.26 -50.16 49.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.28 -0.887 . . . . 0.0 110.119 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.71 -29.75 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.321 -0.862 . . . . 0.0 109.954 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -73.86 -51.47 16.13 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.402 -0.811 . . . . 0.0 109.96 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -64.56 -31.64 72.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.825 . . . . 0.0 110.018 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 14.5 mtp -69.51 -36.46 76.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 110.05 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.74 -42.11 86.75 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.375 -0.828 . . . . 0.0 110.142 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -60.44 -32.47 71.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.331 -0.856 . . . . 0.0 110.264 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -80.27 -44.04 20.32 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.317 -0.864 . . . . 0.0 110.314 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.4 t -80.71 -56.84 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.265 -0.897 . . . . 0.0 110.367 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.3 t -56.32 122.14 11.16 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.327 -0.858 . . . . 0.0 110.368 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -169.96 -37.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.407 -0.808 . . . . 0.0 110.333 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.7 -81.8 0.07 OUTLIER Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.8 p -124.89 -58.4 1.48 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.362 -1.081 . . . . 0.0 110.351 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.59 -36.89 0.05 OUTLIER Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -79.62 133.9 36.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.279 -1.13 . . . . 0.0 110.207 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 47.4 mt -107.95 141.31 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.364 -0.835 . . . . 0.0 110.218 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -83.34 149.68 26.59 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.355 -0.841 . . . . 0.0 110.08 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.426 HG22 ' CD1' ' A' ' 89' ' ' PHE . 4.1 pt -70.01 -18.86 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.353 -0.842 . . . . 0.0 110.605 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.01 -47.44 84.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.902 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -64.2 -51.81 61.92 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.317 -0.865 . . . . 0.0 110.123 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -63.7 -32.58 74.11 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.323 -0.861 . . . . 0.0 110.109 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.53 70.11 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.397 -0.814 . . . . 0.0 110.163 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.36 -39.23 48.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.358 -0.839 . . . . 0.0 110.096 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.85 -36.43 83.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.388 -0.82 . . . . 0.0 110.226 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.61 -16.05 57.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.858 . . . . 0.0 110.436 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.251 -0.905 . . . . 0.0 110.41 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.5 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.257 0.551 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -61.87 -38.6 88.89 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.286 -0.884 . . . . 0.0 110.195 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -62.84 -47.61 82.63 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.304 -0.873 . . . . 0.0 110.082 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.2 mt-30 -63.91 -44.73 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.833 . . . . 0.0 110.057 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.7 mt -62.5 -28.12 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.368 -0.833 . . . . 0.0 109.959 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.48 -40.87 69.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.333 -0.854 . . . . 0.0 110.062 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -65.05 -47.98 75.43 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.073 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 22.9 m-85 -59.9 -40.03 87.41 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.34 -0.85 . . . . 0.0 110.026 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -61.6 -39.52 91.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.481 -0.762 . . . . 0.0 110.203 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -60.72 -56.74 17.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 110.172 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.21 71.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.405 -0.81 . . . . 0.0 110.09 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CE1' HG22 ' A' ' 27' ' ' ILE . 9.0 t80 -69.45 -47.82 62.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.293 -0.879 . . . . 0.0 110.162 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.1 -28.86 69.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.374 -0.829 . . . . 0.0 110.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mt -61.43 -29.45 69.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.394 -0.816 . . . . 0.0 110.205 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -110.64 30.03 7.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.231 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.301 -0.874 . . . . 0.0 110.015 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -144.62 137.21 26.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.349 -1.089 . . . . 0.0 110.291 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.432 HG22 ' CE1' ' A' ' 16' ' ' PHE . 42.8 pt -125.22 157.99 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.377 -0.827 . . . . 0.0 110.222 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 m -79.97 158.25 26.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 0.0 110.199 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -62.22 -32.14 72.77 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.335 -0.853 . . . . 0.0 110.216 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -62.3 -31.19 71.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.398 -0.813 . . . . 0.0 110.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -83.39 -20.26 34.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.397 -0.814 . . . . 0.0 110.29 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 tp -53.59 -50.98 64.46 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.279 -0.888 . . . . 0.0 110.341 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.63 89.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.265 -0.897 . . . . 0.0 110.067 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 m -68.67 -39.07 80.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.361 -0.837 . . . . 0.0 109.916 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.4 t -62.78 -38.13 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.417 -0.802 . . . . 0.0 109.908 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.2 mtt -71.31 -30.18 65.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.352 -0.842 . . . . 0.0 109.878 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -67.5 -36.74 81.66 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.378 -0.826 . . . . 0.0 110.027 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.2 m -80.15 -32.86 38.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.838 . . . . 0.0 110.146 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.46 -24.94 67.72 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.34 -0.85 . . . . 0.0 110.272 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.91 33.43 1.53 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.2 mt -120.45 179.25 4.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.377 -1.072 . . . . 0.0 110.227 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 p -167.72 68.21 0.85 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.826 . . . . 0.0 110.169 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.92 137.3 24.13 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 O-C-N 123.742 1.391 . . . . 0.0 110.462 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.07 176.05 1.39 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.375 -0.828 . . . . 0.0 110.076 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.57 -28.94 69.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.403 -0.81 . . . . 0.0 110.173 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.53 74.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.362 -0.836 . . . . 0.0 110.005 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -68.76 -34.58 75.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.45 -0.781 . . . . 0.0 109.955 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.7 t -69.61 -40.52 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.789 . . . . 0.0 109.873 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.96 -36.78 85.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.444 -0.785 . . . . 0.0 109.962 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -63.87 -48.75 75.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.328 -0.857 . . . . 0.0 109.976 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.06 -43.94 90.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 mtt -68.95 -26.61 65.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 0.0 109.969 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -69.37 -37.93 77.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.334 -0.854 . . . . 0.0 109.971 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -76.97 -28.29 55.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.395 -0.815 . . . . 0.0 110.09 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mt -94.02 -62.49 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.376 -0.827 . . . . 0.0 110.006 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.359 -0.838 . . . . 0.0 110.22 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.215 0.531 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.427 HG21 HD13 ' A' ' 63' ' ' ILE . 98.0 mt -91.26 122.23 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.422 -0.799 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.77 160.15 20.31 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.37 -0.831 . . . . 0.0 109.849 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -56.76 -34.34 67.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.25 -0.906 . . . . 0.0 110.315 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 p -61.82 -57.76 10.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.334 -0.854 . . . . 0.0 110.015 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.83 -31.61 72.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 109.934 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -63.1 -48.58 77.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.43 -0.793 . . . . 0.0 109.993 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.08 -38.65 83.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.33 -0.856 . . . . 0.0 109.884 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.99 89.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.43 -0.794 . . . . 0.0 109.76 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.91 -45.96 90.05 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.357 -0.84 . . . . 0.0 109.919 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.428 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 97.1 mmm -62.25 -33.49 74.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 0.0 109.609 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.349 -0.845 . . . . 0.0 109.763 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 83' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.121 0.486 . . . . 0.0 110.369 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.411 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 30.1 mt-30 -70.35 -40.79 73.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.317 -0.865 . . . . 0.0 110.027 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -60.07 -40.28 88.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.352 -0.843 . . . . 0.0 109.989 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.26 -51.42 66.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.387 -0.821 . . . . 0.0 109.814 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.26 -29.79 70.6 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.366 -0.834 . . . . 0.0 109.807 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -76.53 -43.14 40.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.451 -0.78 . . . . 0.0 110.108 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.41 -48.33 75.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.333 -0.854 . . . . 0.0 110.213 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.422 ' CD1' HG21 ' A' ' 137' ' ' ILE . 16.4 m-85 -62.74 -37.83 88.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.162 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -61.77 -43.37 98.98 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.333 -0.854 . . . . 0.0 110.076 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.3 -35.9 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.38 -0.825 . . . . 0.0 109.966 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -74.45 -35.74 63.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.109 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' ASN . 24.7 t0 -62.52 -27.54 69.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.404 -0.81 . . . . 0.0 110.217 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.15 -65.36 0.19 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.55 -0.719 . . . . 0.0 110.526 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' ASP . 3.2 m-80 -54.19 -55.2 30.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.291 -0.881 . . . . 0.0 110.433 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.46 -21.51 5.69 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.75 -62.9 1.38 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.295 -1.121 . . . . 0.0 110.392 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.85 56.99 0.11 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mt -142.64 125.18 15.75 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.366 -1.079 . . . . 0.0 110.222 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.8 pt -140.0 160.06 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -0.852 . . . . 0.0 110.368 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.98 160.35 25.94 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.329 -0.857 . . . . 0.0 110.137 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.74 -28.37 21.85 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.409 -0.807 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.13 -53.26 39.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.136 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -61.11 -38.04 84.91 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.365 -0.835 . . . . 0.0 110.071 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.426 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 5.1 tp -62.22 -36.9 83.38 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.407 -0.808 . . . . 0.0 110.065 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -71.32 -42.78 68.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.46 -0.775 . . . . 0.0 110.133 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -66.0 -28.29 68.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.253 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.1 t -79.96 -45.66 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.335 -0.853 . . . . 0.0 110.173 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -29.9 68.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.395 -0.815 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.8 m -78.16 -32.53 50.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.0 m -77.02 -37.56 54.74 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.354 -0.841 . . . . 0.0 110.162 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 57.7 mt -62.0 -26.09 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.288 -0.882 . . . . 0.0 110.226 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.95 38.75 22.25 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.29 -6.36 49.43 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.401 -1.058 . . . . 0.0 110.542 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? 54.63 44.37 28.75 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.157 -0.965 . . . . 0.0 110.412 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 16.0 mt -104.33 124.17 48.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.322 -0.861 . . . . 0.0 110.213 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.9 p -70.32 167.18 18.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 0.0 110.256 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.44 -27.63 69.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.384 -0.822 . . . . 0.0 110.149 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.77 -47.69 84.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.355 -0.841 . . . . 0.0 110.177 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.65 -48.16 80.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.425 -0.797 . . . . 0.0 110.084 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.78 -34.1 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 109.951 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -67.44 -45.25 76.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.369 -0.832 . . . . 0.0 110.032 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.72 -28.59 66.97 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.403 -0.81 . . . . 0.0 110.084 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.9 mtp -79.7 -34.72 39.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.374 -0.829 . . . . 0.0 110.099 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 mt -66.19 -41.27 90.45 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.36 -0.837 . . . . 0.0 110.169 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -66.01 -38.09 87.55 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.327 -0.858 . . . . 0.0 110.25 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.95 -36.3 36.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.31 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 73.4 t -83.23 -60.3 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.32 -0.863 . . . . 0.0 110.112 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 t -61.23 117.77 6.02 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.368 -0.832 . . . . 0.0 110.278 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.25 30.23 1.14 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.391 -0.818 . . . . 0.0 110.126 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -128.25 -94.21 0.8 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -134.39 -71.8 0.49 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.377 -1.072 . . . . 0.0 110.173 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.94 30.29 1.51 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -137.3 132.98 34.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -1.038 . . . . 0.0 110.169 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 85.0 mt -122.22 152.53 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.399 -0.813 . . . . 0.0 110.124 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.95 123.46 31.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.421 -0.799 . . . . 0.0 110.126 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.422 HG21 ' CD1' ' A' ' 89' ' ' PHE . 1.1 pt -63.26 -21.17 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.347 -0.846 . . . . 0.0 110.398 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.58 -39.82 84.84 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.256 -0.903 . . . . 0.0 110.178 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.17 -42.85 79.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.88 . . . . 0.0 110.136 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.426 ' CZ ' HD23 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -67.52 -33.86 75.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.38 -0.825 . . . . 0.0 110.066 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.9 -35.05 77.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.388 -0.82 . . . . 0.0 110.149 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.33 61.89 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.405 -0.809 . . . . 0.0 110.092 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.43 -37.79 74.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.806 . . . . 0.0 110.113 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.86 -64.3 1.22 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.315 -0.865 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.8 t . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.434 -0.791 . . . . 0.0 110.412 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.126 0.489 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.37 -36.21 81.57 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.852 . . . . 0.0 110.119 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.83 -46.01 80.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -66.57 -44.52 82.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.406 -0.809 . . . . 0.0 110.056 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.51 -29.8 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 109.84 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.62 75.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.375 -0.828 . . . . 0.0 109.853 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -65.18 -50.37 66.2 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.756 . . . . 0.0 109.983 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.414 ' CE1' ' HE1' ' A' ' 72' ' ' MET . 25.3 m-85 -60.07 -33.39 72.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.332 -0.855 . . . . 0.0 109.99 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.48 -44.54 96.15 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.356 -0.84 . . . . 0.0 110.017 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.57 -47.08 87.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.34 -0.85 . . . . 0.0 110.04 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.69 -36.49 78.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.349 -0.845 . . . . 0.0 109.94 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CE1' HG21 ' A' ' 27' ' ' ILE . 4.6 t80 -67.28 -48.98 66.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.414 -0.804 . . . . 0.0 110.079 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -28.5 69.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.16 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.23 -26.79 68.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.388 -0.82 . . . . 0.0 110.246 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CZ ' HG21 ' A' ' 34' ' ' THR . 82.7 m-85 -116.18 33.16 5.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.352 -0.843 . . . . 0.0 110.217 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.384 -0.823 . . . . 0.0 109.922 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -134.82 141.08 46.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.352 -1.087 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.43 HG21 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -124.51 159.79 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.375 -0.828 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.1 m -83.89 160.15 21.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.858 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -60.22 -39.44 86.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.388 -0.82 . . . . 0.0 110.434 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -27.75 60.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.277 -0.889 . . . . 0.0 110.391 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -91.59 -17.15 26.02 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.357 -0.84 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.8 tp -54.99 -58.69 6.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.202 -0.936 . . . . 0.0 110.405 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.28 67.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.233 -0.917 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.433 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 34.8 m -70.23 -37.7 75.04 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.385 -0.822 . . . . 0.0 110.087 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.22 -38.59 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 0.0 109.834 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.7 mtt -70.4 -36.64 74.18 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.334 -0.854 . . . . 0.0 109.801 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.1 mtp85 -65.69 -35.16 79.96 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.481 -0.762 . . . . 0.0 110.11 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.76 -33.44 40.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.46 -0.775 . . . . 0.0 110.259 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.49 -26.37 67.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.423 -0.798 . . . . 0.0 110.133 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.39 35.65 0.69 Allowed Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.0 mt -124.89 178.71 5.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.273 -1.134 . . . . 0.0 110.076 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -167.45 67.16 0.85 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.354 -0.841 . . . . 0.0 110.249 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.16 138.5 27.98 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.726 1.382 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.34 168.9 1.85 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.302 -0.874 . . . . 0.0 110.161 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.81 -28.45 67.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.238 -0.914 . . . . 0.0 110.177 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.26 76.61 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.375 -0.828 . . . . 0.0 110.064 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.13 -40.59 94.68 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.403 -0.81 . . . . 0.0 109.965 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.17 -39.65 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.339 -0.851 . . . . 0.0 110.005 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.02 -41.79 97.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.408 -0.808 . . . . 0.0 110.094 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -60.57 -49.59 76.94 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.382 -0.824 . . . . 0.0 110.122 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.18 -41.11 98.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.273 -0.892 . . . . 0.0 110.08 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.1 mtt -70.12 -28.02 65.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.414 -0.804 . . . . 0.0 109.991 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -68.68 -35.86 77.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.3 -0.875 . . . . 0.0 109.903 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -80.57 -28.62 37.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.36 -0.838 . . . . 0.0 109.953 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.8 mt -94.71 -65.0 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.376 -0.827 . . . . 0.0 109.983 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.424 -0.797 . . . . 0.0 110.271 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.202 0.525 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.9 mt -79.84 135.02 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.873 . . . . 0.0 110.114 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.11 160.04 15.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.371 -0.831 . . . . 0.0 110.144 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' HD12 ' A' ' 69' ' ' LEU . 22.0 t80 -59.38 -26.46 65.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.39 -0.819 . . . . 0.0 110.375 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 t -72.49 -51.06 21.73 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.257 -0.902 . . . . 0.0 110.176 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.07 -32.2 73.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.374 -0.829 . . . . 0.0 110.126 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.24 -48.96 71.44 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.302 -0.873 . . . . 0.0 110.12 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.419 HD12 ' CE2' ' A' ' 65' ' ' PHE . 62.9 mt -60.16 -40.9 91.52 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.084 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.32 73.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.326 -0.859 . . . . 0.0 110.055 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.4 mt -65.42 -34.63 78.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.369 -0.832 . . . . 0.0 109.972 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.414 ' HE1' ' CE1' ' A' ' 12' ' ' PHE . 76.0 mmm -66.88 -42.09 86.17 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.389 -0.82 . . . . 0.0 110.113 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.313 -0.867 . . . . 0.0 110.162 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.147 0.499 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -55.31 -41.91 73.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.342 -0.849 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.87 -36.44 80.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.364 -0.835 . . . . 0.0 109.796 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.4 mt -69.81 -44.7 69.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.451 -0.78 . . . . 0.0 109.823 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.67 -30.91 71.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 0.0 109.922 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.8 -50.1 63.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 109.877 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.87 89.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.399 -0.813 . . . . 0.0 109.993 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -61.07 -36.12 78.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.428 -0.795 . . . . 0.0 109.994 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -61.94 -45.44 93.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.398 -0.814 . . . . 0.0 109.909 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.05 -32.58 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.395 -0.816 . . . . 0.0 109.878 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.19 -30.61 54.88 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.437 -0.789 . . . . 0.0 110.134 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 1.0 OUTLIER -63.69 -42.87 97.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.369 -0.832 . . . . 0.0 110.24 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 93' ' ' ASP . 11.7 tptt 67.6 -61.38 0.36 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.528 -0.733 . . . . 0.0 110.721 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -50.5 -33.05 19.97 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.174 -0.954 . . . . 0.0 110.705 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.31 -48.98 0.9 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -57.11 -175.58 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.229 -1.159 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -116.95 68.91 0.29 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mt -146.94 124.41 11.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -1.103 . . . . 0.0 110.203 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.6 pt -139.44 160.28 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.394 -0.816 . . . . 0.0 110.237 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.6 160.27 26.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.395 -0.816 . . . . 0.0 110.248 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.25 -30.33 27.21 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.357 -0.84 . . . . 0.0 110.485 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.15 -52.29 56.02 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.304 -0.873 . . . . 0.0 110.065 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -63.47 -28.82 70.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 0.0 110.052 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.419 ' CD2' ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -71.04 -42.32 69.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.342 -0.849 . . . . 0.0 110.17 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -39.38 93.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 0.0 110.181 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.65 -37.08 85.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.349 -0.845 . . . . 0.0 110.203 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.64 -44.97 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.355 -0.841 . . . . 0.0 110.078 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -30.75 70.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.315 -0.865 . . . . 0.0 110.172 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -79.58 -29.68 41.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.327 -0.858 . . . . 0.0 110.16 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -75.82 -38.48 58.08 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.354 -0.842 . . . . 0.0 110.212 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.13 -25.23 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.392 -0.817 . . . . 0.0 110.137 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.58 28.54 47.09 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.26 150.2 46.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.388 -1.066 . . . . 0.0 110.184 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.36 64.33 6.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.325 -0.859 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 39.1 mt -123.22 132.67 54.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.332 -0.855 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 42.1 p -81.97 179.21 7.9 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.434 -0.791 . . . . 0.0 110.223 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -27.43 64.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.353 -0.842 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.77 77.76 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.373 -0.83 . . . . 0.0 110.177 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.61 -49.3 60.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.382 -0.824 . . . . 0.0 110.126 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.31 -31.03 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.359 -0.838 . . . . 0.0 110.129 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.31 -44.17 75.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.389 -0.819 . . . . 0.0 110.124 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -71.99 -35.16 69.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.415 -0.803 . . . . 0.0 110.116 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.405 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 1.1 ttp -72.52 -28.36 62.81 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.38 -0.825 . . . . 0.0 110.155 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.7 mt -73.72 -44.26 56.91 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.306 -0.871 . . . . 0.0 110.055 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -27.85 69.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.353 -0.842 . . . . 0.0 110.16 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.97 -24.86 40.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.332 -0.855 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 52.3 t -108.22 -63.27 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.292 -0.88 . . . . 0.0 110.189 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -157.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.381 -0.825 . . . . 0.0 110.281 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.0 t70 53.8 39.92 30.91 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.305 -0.872 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -134.44 -83.95 0.2 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.6 m -99.51 -41.88 7.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.302 -1.117 . . . . 0.0 110.241 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 158.92 -73.78 0.22 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -80.37 154.78 27.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.407 -1.055 . . . . 0.0 110.223 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 85.9 mt -104.26 146.31 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.447 -0.783 . . . . 0.0 110.243 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.34 132.43 34.95 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.36 -0.838 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 pt -69.27 -21.76 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 110.371 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -64.62 -42.23 95.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.292 -0.88 . . . . 0.0 110.152 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -70.26 -42.24 72.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 110.203 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.419 ' CZ ' ' CD2' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -67.58 -45.66 74.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.3 -0.875 . . . . 0.0 110.03 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.92 -28.55 70.14 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.344 -0.848 . . . . 0.0 110.124 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.36 -29.19 53.22 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.338 -0.851 . . . . 0.0 110.161 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.43 -32.87 62.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.427 -0.796 . . . . 0.0 110.19 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 88.4 mt -79.79 -20.09 47.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.456 -0.777 . . . . 0.0 110.397 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.209 -0.932 . . . . 0.0 110.302 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.147 0.499 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -62.22 -38.27 88.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.372 -0.83 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -61.08 -51.38 69.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.403 -0.811 . . . . 0.0 110.067 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 14.3 mm100 -62.75 -46.1 89.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.414 -0.804 . . . . 0.0 110.136 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.63 -29.82 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.287 -0.883 . . . . 0.0 109.986 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.02 88.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.395 -0.816 . . . . 0.0 110.114 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.85 -48.56 78.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.419 -0.8 . . . . 0.0 110.212 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.425 ' CD1' ' HE2' ' A' ' 72' ' ' MET . 26.7 m-85 -60.58 -40.97 93.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.397 -0.814 . . . . 0.0 110.191 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -58.7 -37.24 75.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.309 -0.87 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.19 -55.27 19.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.372 -0.83 . . . . 0.0 110.084 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.92 -32.39 74.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.33 -0.856 . . . . 0.0 110.181 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CE1' HG21 ' A' ' 27' ' ' ILE . 7.6 t80 -68.95 -51.29 41.22 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.368 -0.832 . . . . 0.0 110.187 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.54 67.32 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.415 -0.803 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.17 -25.38 68.05 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.454 -0.779 . . . . 0.0 110.428 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.421 ' CZ ' HG22 ' A' ' 34' ' ' THR . 76.7 m-85 -116.5 32.17 6.29 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.221 -0.924 . . . . 0.0 110.44 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.287 -0.883 . . . . 0.0 110.184 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 m -141.27 141.25 33.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.34 -1.094 . . . . 0.0 110.197 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.415 HG21 ' CE1' ' A' ' 16' ' ' PHE . 45.0 pt -125.31 157.37 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.447 -0.783 . . . . 0.0 110.274 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 m -83.21 156.95 22.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -0.894 . . . . 0.0 110.172 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -60.63 -28.24 68.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.352 -0.842 . . . . 0.0 110.198 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.0 p -61.71 -29.14 69.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.438 -0.789 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -94.72 -14.01 25.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.365 -0.834 . . . . 0.0 110.536 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.03 -44.55 78.87 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.234 -0.916 . . . . 0.0 110.455 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.46 -45.8 92.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.346 -0.846 . . . . 0.0 110.203 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.421 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 49.6 m -64.63 -36.17 83.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.378 -0.826 . . . . 0.0 110.019 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.09 -39.42 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.38 -0.825 . . . . 0.0 109.908 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.3 mtt -69.76 -35.14 74.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.368 -0.832 . . . . 0.0 109.937 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -68.53 -40.31 80.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.426 -0.796 . . . . 0.0 110.214 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.5 m -68.22 -35.02 77.31 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.798 . . . . 0.0 110.163 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.04 -33.75 76.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.485 -0.76 . . . . 0.0 110.062 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.62 -9.94 2.9 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -78.78 178.99 7.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.247 -1.149 . . . . 0.0 110.106 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -167.9 58.27 0.4 Allowed Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.311 -0.868 . . . . 0.0 110.286 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.99 137.18 26.2 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 O-C-N 123.79 1.416 . . . . 0.0 110.368 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -60.5 171.04 1.19 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.352 -0.842 . . . . 0.0 110.15 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -29.61 67.6 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 110.216 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.89 85.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.418 -0.801 . . . . 0.0 110.04 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -65.34 -42.01 93.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.052 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.26 -37.17 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.411 -0.806 . . . . 0.0 109.98 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.09 -39.9 96.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.386 -0.821 . . . . 0.0 109.951 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -62.26 -50.63 70.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.371 -0.831 . . . . 0.0 110.05 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.64 -42.18 98.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.354 -0.841 . . . . 0.0 109.996 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.0 mtt -66.77 -41.9 86.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.372 -0.83 . . . . 0.0 110.061 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -60.72 -28.03 68.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.378 -0.826 . . . . 0.0 110.08 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -82.03 -27.92 32.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.344 -0.848 . . . . 0.0 109.888 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mt -84.24 -56.01 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.41 -0.806 . . . . 0.0 110.046 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 . . . . . 0 N--CA 1.495 1.775 0 O-C-N 121.244 -0.91 . . . . 0.0 110.56 -179.687 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.191 0.519 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.8 mt -79.7 132.94 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.305 -0.872 . . . . 0.0 110.1 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -94.41 160.14 14.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.456 -0.777 . . . . 0.0 110.123 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CE2' HD13 ' A' ' 69' ' ' LEU . 16.8 t80 -57.73 -27.89 63.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.262 -0.899 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -69.91 -51.73 30.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.364 -0.835 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.87 -35.35 79.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.383 -0.823 . . . . 0.0 110.058 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -64.41 -46.27 84.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.363 -0.836 . . . . 0.0 110.155 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD13 ' CE2' ' A' ' 65' ' ' PHE . 54.1 mt -60.67 -40.79 93.44 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.401 -0.812 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.47 -43.13 73.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.304 -0.872 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.31 -33.85 76.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.361 -0.837 . . . . 0.0 110.187 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.425 ' HE2' ' CD1' ' A' ' 12' ' ' PHE . 77.8 mmm -71.68 -35.59 70.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.397 -0.814 . . . . 0.0 110.171 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 55.0 p . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.329 -0.857 . . . . 0.0 110.115 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.128 0.489 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.49 -30.36 68.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.378 -0.826 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -69.26 -41.18 77.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.824 . . . . 0.0 110.163 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.54 -44.22 78.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.378 -0.826 . . . . 0.0 110.102 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.88 -27.15 68.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.437 -0.79 . . . . 0.0 110.217 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -43.15 66.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.369 -0.832 . . . . 0.0 110.186 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.68 -46.26 72.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.373 -0.829 . . . . 0.0 110.177 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -63.1 -34.49 77.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.372 -0.83 . . . . 0.0 110.193 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -66.74 -38.94 87.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.346 -0.846 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.7 t -65.97 -36.38 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.37 -0.831 . . . . 0.0 110.109 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.421 ' CE2' HG21 ' A' ' 108' ' ' VAL . 7.9 m-85 -69.37 -30.28 68.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.337 -0.852 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.6 141.75 40.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -106.74 -44.36 4.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.365 -0.834 . . . . 0.0 110.152 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -58.4 -41.36 84.73 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.343 -0.848 . . . . 0.0 110.19 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.82 -42.15 1.49 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.5 150.34 44.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.345 -1.091 . . . . 0.0 110.232 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.01 83.66 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.1 mt -146.32 111.36 5.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.376 -1.073 . . . . 0.0 110.224 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.7 pt -139.11 160.3 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.304 -0.873 . . . . 0.0 110.225 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -79.74 160.17 26.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.229 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.58 -33.67 60.66 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.36 -0.838 . . . . 0.0 110.394 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.1 -53.25 58.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.258 -0.901 . . . . 0.0 110.115 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -62.55 -28.83 70.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.361 -0.837 . . . . 0.0 109.971 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.415 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -70.25 -43.93 69.54 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.353 -0.842 . . . . 0.0 110.041 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.95 -40.51 91.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.359 -0.838 . . . . 0.0 110.081 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -62.27 -36.48 82.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.099 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.421 HG21 ' CE2' ' A' ' 92' ' ' PHE . 92.9 t -71.77 -37.17 61.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.437 -0.789 . . . . 0.0 110.085 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.65 -35.21 78.88 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.362 -0.836 . . . . 0.0 110.257 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.0 m -75.0 -36.08 61.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -68.13 -40.75 82.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.364 -0.835 . . . . 0.0 110.125 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 63.8 mt -62.11 -26.18 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.317 -0.865 . . . . 0.0 110.136 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.33 30.92 26.49 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.65 130.16 39.02 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.362 -1.081 . . . . 0.0 110.156 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 64.25 4.68 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.384 -0.822 . . . . 0.0 110.264 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.4 mt -111.74 131.82 55.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.886 . . . . 0.0 110.25 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.8 p -73.14 -178.82 3.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.377 -0.827 . . . . 0.0 110.109 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.46 -33.34 54.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 0.0 110.133 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.37 83.72 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.308 -0.87 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.4 -52.09 63.06 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 110.121 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.23 -25.6 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.379 -0.825 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.47 -49.22 23.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.344 -0.847 . . . . 0.0 110.03 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -69.07 -33.21 73.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.459 -0.776 . . . . 0.0 110.066 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.427 ' HE3' ' CE1' ' A' ' 140' ' ' PHE . 2.7 ttp -75.63 -28.4 58.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.403 -0.811 . . . . 0.0 110.158 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.7 mt -72.57 -39.86 67.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.406 -0.809 . . . . 0.0 110.265 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -66.4 -33.01 74.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.368 -0.833 . . . . 0.0 110.237 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -80.0 -30.9 39.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.322 -0.862 . . . . 0.0 110.374 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.8 t -89.41 -35.65 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 110.152 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 t -75.02 64.51 1.34 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.2 -27.24 63.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.352 -0.843 . . . . 0.0 110.187 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -97.23 -114.29 3.18 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.66 -38.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -1.11 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -60.41 -100.71 0.01 OUTLIER Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -108.08 159.58 16.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.31 -1.111 . . . . 0.0 110.321 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 74.2 mt -101.41 155.29 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.358 -0.839 . . . . 0.0 110.158 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.02 122.56 35.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.436 -0.79 . . . . 0.0 110.095 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 8.7 pt -61.9 -20.48 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.362 -0.836 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -43.0 97.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.233 -0.917 . . . . 0.0 110.142 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -71.04 -43.71 67.3 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.318 -0.864 . . . . 0.0 110.04 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.427 ' CE1' ' HE3' ' A' ' 124' ' ' MET . 0.3 OUTLIER -67.27 -44.38 79.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.298 -0.876 . . . . 0.0 109.936 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.34 75.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.445 -0.785 . . . . 0.0 110.099 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.77 89.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.317 -0.864 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.03 -38.01 82.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.429 -0.795 . . . . 0.0 110.063 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.44 -25.17 45.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.437 -0.789 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.338 -0.851 . . . . 0.0 110.231 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.184 0.516 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.77 -35.43 72.77 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.212 -0.93 . . . . 0.0 110.234 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.54 -55.72 21.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 109.759 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -62.54 -42.16 99.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 109.946 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.94 -32.85 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 0.0 109.664 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.06 -36.75 82.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.459 -0.776 . . . . 0.0 109.741 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.59 -48.11 56.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.365 -0.834 . . . . 0.0 109.986 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.49 -41.12 96.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 0.0 109.924 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 10.0 ttmt -59.99 -41.49 92.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.393 -0.817 . . . . 0.0 110.37 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.35 -55.43 33.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.346 -0.847 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.66 71.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.308 -0.87 . . . . 0.0 110.204 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -72.58 -38.14 67.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.354 -0.841 . . . . 0.0 110.225 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.18 -28.97 65.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.395 -0.816 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 mt -61.76 -25.88 67.73 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.869 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.427 ' CZ ' HG21 ' A' ' 34' ' ' THR . 93.8 m-85 -116.49 33.36 5.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.333 -0.854 . . . . 0.0 110.264 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.86 . . . . 0.0 110.42 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.21 132.46 12.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.367 -1.079 . . . . 0.0 109.976 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 pt -116.93 159.57 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.346 -0.846 . . . . 0.0 110.305 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -88.56 160.09 17.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.428 -0.795 . . . . 0.0 110.213 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.15 -37.23 76.8 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.371 -0.831 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -55.57 -27.0 46.66 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.391 -0.818 . . . . 0.0 110.333 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -98.6 -16.28 19.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.351 -0.843 . . . . 0.0 110.315 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.2 tp -57.56 -51.54 69.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.317 -0.865 . . . . 0.0 110.357 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.13 74.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.345 -0.847 . . . . 0.0 110.106 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.427 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 64.2 m -69.09 -36.74 77.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.342 -0.849 . . . . 0.0 110.082 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.89 -37.53 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 0.0 109.949 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.2 mtt -69.89 -37.68 76.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.419 -0.801 . . . . 0.0 109.914 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -62.9 -37.55 87.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.374 -0.829 . . . . 0.0 110.13 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -78.16 -32.06 50.0 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.366 -0.834 . . . . 0.0 110.091 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.99 -22.78 64.98 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.379 -0.826 . . . . 0.0 110.184 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.54 34.52 0.92 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.0 mt -125.92 175.79 7.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.324 -1.104 . . . . 0.0 110.323 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -168.18 62.65 0.56 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.464 -0.772 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.62 139.73 31.56 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.811 1.427 . . . . 0.0 110.49 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 m -62.58 169.14 3.2 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.396 -0.815 . . . . 0.0 110.027 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -28.18 65.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.336 -0.853 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.35 76.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.044 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.02 -42.12 94.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.0 110.042 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.42 -39.23 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.389 -0.819 . . . . 0.0 109.966 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -61.27 -42.21 98.24 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.506 -0.746 . . . . 0.0 110.069 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.53 -49.33 78.21 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.444 -0.785 . . . . 0.0 110.207 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.97 -44.94 91.2 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.263 -0.898 . . . . 0.0 110.132 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.8 mtt -64.51 -28.82 69.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 110.057 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -68.19 -41.98 80.62 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.085 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.72 -30.73 68.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.157 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.8 mt -88.3 -55.61 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.1 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.444 -0.785 . . . . 0.0 110.337 -179.77 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.149 0.499 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.8 mt -90.18 121.2 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.37 -0.831 . . . . 0.0 110.129 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.86 160.2 18.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.392 -0.817 . . . . 0.0 110.02 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 13.6 t80 -56.06 -26.3 48.69 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.365 -0.835 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -71.66 -51.08 24.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.353 -0.842 . . . . 0.0 109.978 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.02 -35.6 80.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.386 -0.821 . . . . 0.0 110.017 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -62.12 -50.71 70.81 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.446 -0.784 . . . . 0.0 109.954 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 65' ' ' PHE . 55.4 mt -58.89 -37.09 75.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 110.054 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.81 -47.41 72.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mt -61.88 -42.99 99.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.424 -0.798 . . . . 0.0 110.024 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.4 mmm -64.06 -41.14 97.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.39 -0.819 . . . . 0.0 109.98 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.372 -0.83 . . . . 0.0 110.195 179.774 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.22 0.533 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -27.09 61.81 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.414 -0.804 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.56 -45.38 75.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.304 -0.873 . . . . 0.0 110.077 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -46.43 83.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.321 -0.862 . . . . 0.0 109.911 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.47 -31.11 71.65 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.37 -0.831 . . . . 0.0 110.094 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -74.18 -42.88 59.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.383 -0.823 . . . . 0.0 110.095 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.28 99.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.349 -0.844 . . . . 0.0 110.063 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.415 ' CE1' HG12 ' A' ' 108' ' ' VAL . 12.4 m-85 -66.98 -37.47 84.3 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.365 -0.835 . . . . 0.0 110.045 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -65.31 -37.26 86.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.377 -0.827 . . . . 0.0 110.194 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.0 -45.55 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.415 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 8.5 m-85 -60.84 -25.2 66.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.365 -0.834 . . . . 0.0 110.226 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.65 171.84 1.43 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.368 -0.833 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 -69.88 0.74 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.876 . . . . 0.0 110.218 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -84.17 -61.74 1.74 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.308 -0.87 . . . . 0.0 110.223 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.25 45.21 0.02 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.87 -31.34 6.14 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.335 -1.097 . . . . 0.0 110.137 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.66 64.5 0.56 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.6 mt -146.26 104.58 3.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -1.118 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.8 pt -129.42 159.02 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.373 -0.829 . . . . 0.0 110.23 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -79.93 160.18 26.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.382 -0.824 . . . . 0.0 110.194 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.03 -34.41 59.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.358 -0.838 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.13 87.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.047 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -69.31 -31.06 69.29 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.342 -0.849 . . . . 0.0 109.904 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.64 -37.38 70.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.387 -0.821 . . . . 0.0 110.072 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -70.04 -39.06 75.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.413 -0.804 . . . . 0.0 110.23 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -67.03 -35.49 80.0 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 0.0 110.24 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.415 HG12 ' CE1' ' A' ' 89' ' ' PHE . 89.8 t -70.79 -40.11 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.315 -0.866 . . . . 0.0 110.131 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -31.37 72.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.177 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.7 m -79.56 -35.92 39.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.382 -0.824 . . . . 0.0 110.268 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.68 -40.24 84.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.382 -0.824 . . . . 0.0 110.168 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 55.4 mt -61.68 -28.58 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.311 -0.868 . . . . 0.0 110.147 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.9 37.56 25.53 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -12.08 61.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.426 -1.044 . . . . 0.0 110.458 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.07 46.25 22.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.224 -0.922 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.8 mt -97.52 127.77 43.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.479 -0.763 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.7 p -60.91 157.93 14.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -0.854 . . . . 0.0 110.187 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.97 -27.88 68.59 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.301 -0.874 . . . . 0.0 110.18 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.99 -29.83 69.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.469 -0.77 . . . . 0.0 110.175 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.36 -51.42 20.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.356 -0.84 . . . . 0.0 110.093 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.78 -28.85 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.453 -0.779 . . . . 0.0 109.879 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.42 -40.07 77.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.46 -0.775 . . . . 0.0 110.037 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -73.4 -29.12 62.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.387 -0.82 . . . . 0.0 110.088 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.404 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 3.8 mtm -78.04 -38.77 43.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.426 -0.796 . . . . 0.0 110.1 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.08 -41.4 90.75 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.368 -0.833 . . . . 0.0 110.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -32.9 67.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.487 -0.758 . . . . 0.0 110.162 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -79.51 -38.14 35.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 0.0 110.182 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 67.0 t -81.08 -55.45 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.4 -0.813 . . . . 0.0 110.033 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 t -66.26 147.71 52.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.358 -0.839 . . . . 0.0 110.186 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -132.77 31.18 3.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.339 -0.851 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.47 46.23 5.57 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.7 t -121.7 -51.46 2.04 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.382 -1.07 . . . . 0.0 110.209 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 128.19 -41.47 1.57 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -104.86 153.81 20.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.386 -1.067 . . . . 0.0 110.176 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.407 HD13 HG22 ' A' ' 135' ' ' ILE . 88.8 mt -133.33 141.92 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.838 . . . . 0.0 110.167 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -80.59 142.2 34.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.447 -0.783 . . . . 0.0 110.166 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.9 pt -79.7 -16.56 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.352 -0.842 . . . . 0.0 110.575 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -59.7 -50.0 75.56 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.215 -0.928 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -70.7 -36.94 73.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.194 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.404 ' CE1' ' HE2' ' A' ' 124' ' ' MET . 0.2 OUTLIER -71.33 -43.15 67.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.401 -0.812 . . . . 0.0 110.033 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.54 70.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.361 -0.837 . . . . 0.0 110.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.86 -33.45 59.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.836 . . . . 0.0 110.127 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.3 mt -68.62 -38.32 80.45 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.455 -0.778 . . . . 0.0 110.091 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 84.4 mt -79.12 -63.53 1.4 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.459 -0.776 . . . . 0.0 110.143 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.356 -0.84 . . . . 0.0 110.524 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.152 0.501 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.71 -35.71 73.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.272 -0.893 . . . . 0.0 110.235 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -67.63 -40.95 84.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 0.0 109.959 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 29.0 mm-40 -68.48 -44.85 73.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.437 -0.789 . . . . 0.0 110.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.4 mt -64.13 -28.56 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.357 -0.839 . . . . 0.0 110.008 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -42.12 70.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.393 -0.817 . . . . 0.0 110.022 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -61.67 -48.73 79.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.431 -0.793 . . . . 0.0 110.162 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 26.3 m-85 -60.15 -39.33 85.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.7 ttmm -59.18 -39.18 81.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.305 -0.872 . . . . 0.0 110.181 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.65 -53.73 46.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.36 -0.837 . . . . 0.0 110.11 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.91 81.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.0 110.081 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.416 ' CE1' HG23 ' A' ' 27' ' ' ILE . 10.7 t80 -66.68 -43.55 84.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.399 -0.813 . . . . 0.0 109.97 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.88 66.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.403 -0.811 . . . . 0.0 110.028 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.02 -14.47 61.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.28 -0.888 . . . . 0.0 110.321 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -130.79 36.87 3.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.201 -0.937 . . . . 0.0 110.594 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 20' ' ' ASP . 6.1 p30 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.945 . . . . 0.0 110.402 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -151.31 144.5 24.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.318 -1.107 . . . . 0.0 110.213 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.416 HG23 ' CE1' ' A' ' 16' ' ' PHE . 45.1 pt -121.24 156.09 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 110.169 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.5 m -84.41 159.96 20.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.348 -0.845 . . . . 0.0 110.258 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -60.28 -25.77 65.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.408 -0.808 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.6 m -66.24 -40.54 90.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.846 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -82.34 -13.63 56.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.414 -0.804 . . . . 0.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.9 tp -57.94 -50.14 74.39 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.181 -0.949 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.15 74.15 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.388 -0.82 . . . . 0.0 110.344 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 m -67.66 -35.81 79.56 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.334 -0.854 . . . . 0.0 110.039 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.55 -41.07 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.9 mtt -66.59 -39.02 88.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.401 -0.812 . . . . 0.0 110.017 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -62.76 -31.74 72.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.338 -0.851 . . . . 0.0 110.058 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -35.17 56.97 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.394 -0.816 . . . . 0.0 110.143 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.16 -21.02 64.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.321 -0.862 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.26 35.83 0.91 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.8 mt -123.3 174.11 7.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.388 -1.066 . . . . 0.0 110.197 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -167.2 64.77 0.75 Allowed Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.382 -0.823 . . . . 0.0 110.074 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.28 136.96 25.13 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.797 1.42 . . . . 0.0 110.498 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -65.95 179.27 0.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.426 -0.796 . . . . 0.0 110.06 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.3 -28.5 70.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.259 -0.901 . . . . 0.0 109.945 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.05 -43.27 75.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.403 -0.811 . . . . 0.0 110.108 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.96 -34.25 73.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.388 -0.82 . . . . 0.0 109.883 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.53 -38.23 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.486 -0.759 . . . . 0.0 109.835 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -64.03 -40.98 97.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.408 -0.808 . . . . 0.0 109.832 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.93 -49.57 75.63 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.478 -0.764 . . . . 0.0 110.024 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.58 -43.47 98.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.34 -0.85 . . . . 0.0 109.871 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.9 mtt -68.06 -29.18 68.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.465 -0.772 . . . . 0.0 109.869 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -65.59 -37.75 87.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.402 -0.811 . . . . 0.0 109.963 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -73.05 -39.64 65.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.383 -0.823 . . . . 0.0 109.922 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.2 mt -75.59 -62.99 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.487 -0.758 . . . . 0.0 109.852 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.385 -0.822 . . . . 0.0 110.15 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 121.131 0.491 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.4 mt -79.94 112.27 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.281 -0.887 . . . . 0.0 110.307 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.87 160.19 20.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.426 -0.796 . . . . 0.0 109.862 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 14.3 t80 -53.7 -27.85 30.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.313 -0.867 . . . . 0.0 110.488 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.9 p -71.71 -51.69 21.64 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.336 -0.853 . . . . 0.0 110.02 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.12 -34.16 77.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.438 -0.789 . . . . 0.0 110.056 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.48 -48.45 72.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.337 -0.852 . . . . 0.0 110.217 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.8 mt -60.46 -35.64 76.33 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.305 -0.872 . . . . 0.0 110.112 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.97 -48.95 56.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.352 -0.843 . . . . 0.0 110.107 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.98 -36.33 83.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.394 -0.817 . . . . 0.0 109.997 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.445 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 81.1 mmm -65.43 -42.37 92.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.493 -0.754 . . . . 0.0 110.093 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.344 -0.848 . . . . 0.0 110.176 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.277 0.561 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.61 -46.28 90.87 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.298 -0.877 . . . . 0.0 110.114 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.26 -50.02 71.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 109.994 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -32.85 73.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.405 -0.81 . . . . 0.0 110.062 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.99 -38.45 82.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.337 -0.852 . . . . 0.0 110.005 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -63.27 -45.72 90.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.347 -0.846 . . . . 0.0 110.06 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.26 90.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.355 -0.841 . . . . 0.0 110.116 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -63.58 -38.3 90.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.841 . . . . 0.0 110.167 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -33.46 73.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.307 -0.87 . . . . 0.0 110.154 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.8 t -70.96 -42.18 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.289 -0.882 . . . . 0.0 110.024 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.446 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 8.7 m-85 -65.48 -27.34 68.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.311 -0.868 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.43 176.53 6.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.338 -0.851 . . . . 0.0 110.232 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -89.52 -72.22 0.57 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.336 -0.852 . . . . 0.0 110.244 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -99.54 -73.04 0.64 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.352 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.82 36.85 0.12 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -81.49 -44.12 17.85 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -1.041 . . . . 0.0 110.24 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.58 37.73 8.59 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.3 mt -129.04 102.84 6.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.348 -1.09 . . . . 0.0 110.189 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.6 pt -125.83 160.15 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.372 -0.83 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -79.86 160.4 26.09 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.423 -0.798 . . . . 0.0 110.195 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.48 -28.77 21.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.35 -0.844 . . . . 0.0 110.488 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.79 -53.02 45.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.349 -0.844 . . . . 0.0 110.033 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -62.43 -29.4 70.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.41 -0.806 . . . . 0.0 109.918 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.427 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -69.27 -44.54 71.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.398 -0.814 . . . . 0.0 110.112 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -41.51 98.55 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.4 -0.813 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -63.46 -38.35 90.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -0.814 . . . . 0.0 110.161 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.446 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 85.6 t -65.43 -44.35 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.36 -0.837 . . . . 0.0 110.028 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 mp -62.25 -29.8 70.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.062 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.7 m -74.51 -43.37 56.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 110.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -42.96 99.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.347 -0.846 . . . . 0.0 110.122 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.05 -23.08 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.424 -0.798 . . . . 0.0 110.145 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.2 23.36 44.8 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.36 105.08 6.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.32 -1.106 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -73.24 63.85 0.75 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.323 -0.86 . . . . 0.0 110.148 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.2 mt -89.68 149.7 22.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.893 . . . . 0.0 110.173 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.0 p -87.89 159.16 18.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.323 -0.861 . . . . 0.0 110.18 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.53 -25.26 64.36 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.356 -0.84 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.19 -34.98 77.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.361 -0.837 . . . . 0.0 110.147 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -69.76 -52.98 20.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.331 -0.855 . . . . 0.0 110.086 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.74 -25.55 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.383 -0.823 . . . . 0.0 110.026 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.99 -44.32 48.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.376 -0.827 . . . . 0.0 110.067 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -26.64 61.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.06 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.9 mtp -79.71 -36.14 37.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.317 -0.864 . . . . 0.0 110.236 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.25 -40.51 77.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.391 -0.818 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -65.92 -36.78 84.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 110.281 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -80.09 -30.19 39.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.323 -0.861 . . . . 0.0 110.528 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.5 t -92.45 -59.16 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.312 -0.868 . . . . 0.0 110.348 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 t -57.91 115.04 2.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.345 -0.847 . . . . 0.0 110.38 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -167.89 32.73 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.457 -0.777 . . . . 0.0 110.194 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -125.85 -98.97 1.14 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.6 t -120.48 -72.07 0.71 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -1.069 . . . . 0.0 110.176 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.77 29.41 0.55 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -137.82 158.9 43.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.427 -1.043 . . . . 0.0 110.273 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.438 HG23 HD13 ' A' ' 135' ' ' ILE . 83.0 mt -133.54 149.14 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.408 -0.807 . . . . 0.0 110.133 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -88.6 125.47 34.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.316 -0.865 . . . . 0.0 110.223 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.5 pt -67.26 -19.0 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.425 -0.797 . . . . 0.0 110.379 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -68.1 -51.08 50.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.222 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -62.72 -36.28 82.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.326 -0.859 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.427 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -70.92 -41.74 70.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.843 . . . . 0.0 110.117 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.46 74.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.4 -0.812 . . . . 0.0 110.152 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.44 -27.65 41.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.334 -0.854 . . . . 0.0 110.173 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.9 mt -71.29 -36.26 71.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.369 -0.832 . . . . 0.0 110.124 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 92.7 mt -77.51 -27.23 51.7 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.448 -0.782 . . . . 0.0 110.182 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 64.2 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.342 -0.849 . . . . 0.0 110.197 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.159 0.504 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -62.51 -36.91 84.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.846 . . . . 0.0 110.192 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.93 -41.9 86.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.264 -0.897 . . . . 0.0 110.071 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 14.4 mm-40 -68.67 -43.68 75.64 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.425 -0.797 . . . . 0.0 110.062 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.5 mt -66.72 -32.57 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.34 -34.64 72.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.37 -0.831 . . . . 0.0 110.128 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -67.35 -45.57 75.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.096 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.432 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 23.9 m-85 -63.17 -41.4 99.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 109.995 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.5 ttmt -59.26 -38.89 81.2 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.407 -0.808 . . . . 0.0 110.207 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.08 -53.66 46.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.328 -0.858 . . . . 0.0 110.097 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.46 -34.87 78.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.38 -0.825 . . . . 0.0 110.242 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CE1' HG23 ' A' ' 27' ' ' ILE . 9.0 t80 -69.31 -40.46 77.63 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.337 -0.852 . . . . 0.0 110.149 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.01 73.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.446 -0.784 . . . . 0.0 110.145 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.71 -39.74 94.98 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 110.102 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 34' ' ' THR . 87.9 m-85 -101.78 25.04 9.03 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.409 -0.807 . . . . 0.0 110.152 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.409 -0.807 . . . . 0.0 110.113 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -159.88 139.64 11.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.287 -1.125 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.426 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.7 pt -125.16 158.84 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.86 . . . . 0.0 110.158 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.9 m -80.84 158.52 25.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 110.18 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -62.27 -27.18 68.84 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.386 -0.821 . . . . 0.0 110.317 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -64.34 -41.82 96.58 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.323 -0.86 . . . . 0.0 110.16 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -78.49 -15.65 58.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.289 -0.882 . . . . 0.0 110.472 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.6 tp -54.18 -55.15 30.72 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.257 -0.902 . . . . 0.0 110.55 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.55 79.38 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.273 -0.892 . . . . 0.0 110.204 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.418 HG23 ' CZ ' ' A' ' 19' ' ' PHE . 91.1 m -63.56 -39.64 94.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.381 -0.824 . . . . 0.0 110.014 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.2 -43.87 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.431 -0.793 . . . . 0.0 109.968 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.3 mtt -62.77 -31.43 72.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.497 -0.752 . . . . 0.0 109.948 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -69.57 -38.62 77.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.427 -0.796 . . . . 0.0 110.242 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -34.09 62.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.35 -0.844 . . . . 0.0 110.294 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.97 -25.06 66.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.317 -0.864 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.95 33.23 1.56 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.2 mt -123.3 -177.24 3.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.407 -1.055 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t -168.05 68.45 0.81 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.41 -0.807 . . . . 0.0 110.22 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.64 137.29 24.78 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.749 1.394 . . . . 0.0 110.264 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.8 167.06 2.97 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.267 -0.895 . . . . 0.0 110.144 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -27.72 63.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 110.117 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.43 66.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.436 -0.79 . . . . 0.0 109.912 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.69 -37.32 86.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.357 -0.84 . . . . 0.0 109.997 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.05 -44.4 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.387 -0.82 . . . . 0.0 109.914 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -32.13 72.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.315 -0.865 . . . . 0.0 110.03 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -67.68 -50.62 56.82 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.38 -0.825 . . . . 0.0 109.933 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.84 -40.28 96.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.398 -0.814 . . . . 0.0 109.885 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mtt -66.81 -35.39 79.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.401 -0.812 . . . . 0.0 110.026 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -62.65 -40.81 98.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.39 -0.819 . . . . 0.0 109.92 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.6 -36.75 83.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.443 -0.786 . . . . 0.0 109.832 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mt -80.14 -58.83 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.454 -0.779 . . . . 0.0 109.992 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.397 -0.814 . . . . 0.0 110.376 -179.777 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.136 0.493 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.446 HG23 HD13 ' A' ' 63' ' ' ILE . 82.7 mt -95.75 111.1 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.36 -0.838 . . . . 0.0 110.335 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.29 160.15 24.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.481 -0.762 . . . . 0.0 109.924 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.6 t80 -56.79 -28.68 61.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.27 -0.894 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -52.63 26.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.427 -0.796 . . . . 0.0 110.041 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.78 -35.14 79.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.382 -0.824 . . . . 0.0 109.98 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.47 -51.72 67.52 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.393 -0.817 . . . . 0.0 109.935 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 65' ' ' PHE . 52.1 mt -56.76 -41.11 77.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.842 . . . . 0.0 110.075 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.31 -49.18 58.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.442 -0.786 . . . . 0.0 109.911 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.39 -33.91 75.69 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.438 -0.789 . . . . 0.0 110.029 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.432 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 76.3 mmm -70.56 -44.03 68.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.428 -0.795 . . . . 0.0 110.039 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 110.006 179.79 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.134 0.492 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -57.11 -37.54 72.1 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.389 -0.819 . . . . 0.0 110.22 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.39 -45.0 95.12 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.328 -0.858 . . . . 0.0 109.978 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.52 -42.36 99.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 109.917 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.85 -35.84 77.61 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.83 . . . . 0.0 109.874 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -50.79 70.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.368 -0.833 . . . . 0.0 109.908 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.42 94.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 110.011 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD1' HG22 ' A' ' 137' ' ' ILE . 10.1 m-85 -61.45 -33.46 73.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.418 -0.801 . . . . 0.0 110.064 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -43.24 90.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.423 -0.798 . . . . 0.0 110.076 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.09 -38.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.348 -0.845 . . . . 0.0 109.965 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.439 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 7.0 m-85 -68.28 -26.93 65.9 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.403 -0.811 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -78.31 152.33 32.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.905 . . . . 0.0 110.16 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.17 -52.94 3.03 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.375 -0.828 . . . . 0.0 110.217 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -64.13 -35.58 81.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.873 . . . . 0.0 110.144 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.5 48.6 3.43 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.91 20.32 6.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -1.054 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.23 47.95 88.3 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.0 mt -141.76 110.69 6.22 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -1.129 . . . . 0.0 110.247 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.9 pt -132.39 160.14 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.387 -0.821 . . . . 0.0 110.191 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -79.81 160.32 26.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.395 -0.815 . . . . 0.0 110.315 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.39 -34.53 48.42 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.376 -0.827 . . . . 0.0 110.437 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.15 -53.01 61.44 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.412 -0.805 . . . . 0.0 110.061 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -62.36 -32.65 73.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.33 -0.856 . . . . 0.0 109.974 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.416 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -69.05 -43.41 74.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.419 -0.801 . . . . 0.0 110.164 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -61.27 -38.35 86.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.319 -0.863 . . . . 0.0 110.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -68.89 -33.07 73.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 110.052 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.439 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 79.8 t -72.53 -44.56 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.389 -0.819 . . . . 0.0 109.942 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.66 -33.64 74.31 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.414 -0.804 . . . . 0.0 110.155 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.0 m -79.57 -30.09 41.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.301 -0.875 . . . . 0.0 110.2 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -73.59 -40.84 63.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.341 -0.849 . . . . 0.0 110.181 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.2 mt -62.49 -26.27 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.344 -0.848 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.38 29.15 31.09 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.74 142.73 54.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.403 -1.057 . . . . 0.0 110.106 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -80.2 62.88 4.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -0.865 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.2 mt -124.96 131.23 53.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 0.0 110.236 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.2 p -84.26 -166.97 1.59 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.394 -0.816 . . . . 0.0 110.203 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.4 -33.69 42.46 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.361 -0.837 . . . . 0.0 110.122 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.47 98.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.388 -0.82 . . . . 0.0 110.108 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.48 -51.42 67.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 64.6 t -60.34 -26.85 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.41 -0.806 . . . . 0.0 110.104 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.5 -47.14 67.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 110.077 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -68.22 -32.51 72.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.355 -0.841 . . . . 0.0 110.15 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.4 mtp -77.01 -28.62 55.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.379 -0.826 . . . . 0.0 110.169 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.19 -45.19 67.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -68.04 -30.69 69.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.338 -0.851 . . . . 0.0 110.308 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -80.07 -27.34 39.35 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.326 -0.859 . . . . 0.0 110.236 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 65.5 t -95.98 -37.64 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.264 -0.898 . . . . 0.0 110.237 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.5 t -61.08 114.77 3.29 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.396 -0.815 . . . . 0.0 110.204 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -100.33 -44.94 5.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.348 -0.845 . . . . 0.0 110.335 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 132' ' ' SER . . . -117.86 9.96 14.05 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 131' ' ' GLY . 1.3 t 68.76 -3.42 1.43 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.353 -1.086 . . . . 0.0 111.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -88.36 -112.16 1.13 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -85.67 153.17 22.54 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.419 -1.048 . . . . 0.0 110.312 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.448 HD13 HG23 ' A' ' 135' ' ' ILE . 86.1 mt -116.18 148.43 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.427 -0.795 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -88.26 118.96 28.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.336 -0.853 . . . . 0.0 110.193 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.404 HG22 ' CD1' ' A' ' 89' ' ' PHE . 24.2 pt -61.63 -18.92 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.432 -0.793 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -56.49 21.14 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.206 -0.934 . . . . 0.0 110.341 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -63.61 -40.95 98.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.306 -0.872 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.416 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.91 -36.73 84.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.277 -0.889 . . . . 0.0 110.132 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -70.43 -27.62 64.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 110.223 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.69 -38.5 64.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.316 -0.865 . . . . 0.0 110.179 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.08 -34.79 68.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.335 -0.853 . . . . 0.0 110.219 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 91.9 mt -79.98 -10.28 59.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.85 . . . . 0.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.184 -0.948 . . . . 0.0 110.299 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.4 p . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.148 0.499 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.47 -39.96 85.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.386 -0.821 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.84 -46.42 81.98 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.41 -0.806 . . . . 0.0 110.015 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.403 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 93.6 mt-30 -67.12 -41.49 86.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.327 -0.858 . . . . 0.0 110.072 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.3 mt -67.03 -32.88 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.397 -0.815 . . . . 0.0 109.914 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.58 73.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.39 -0.819 . . . . 0.0 109.935 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.0 -50.96 52.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.394 -0.816 . . . . 0.0 110.092 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.417 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 25.1 m-85 -60.48 -38.76 85.27 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.391 -0.818 . . . . 0.0 109.986 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.9 tttt -60.5 -39.83 89.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.389 -0.82 . . . . 0.0 110.039 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -61.89 -50.08 73.64 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.405 -0.809 . . . . 0.0 109.972 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -27.72 64.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.399 -0.813 . . . . 0.0 110.004 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -75.72 -43.16 48.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.35 -0.844 . . . . 0.0 110.037 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.19 -29.75 69.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.374 -0.829 . . . . 0.0 110.104 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.5 mt -62.01 -41.37 97.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.304 -0.873 . . . . 0.0 110.178 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CZ ' HG21 ' A' ' 34' ' ' THR . 44.7 m-85 -90.7 -28.85 18.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.372 -0.83 . . . . 0.0 110.241 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.329 -0.857 . . . . 0.0 109.947 179.829 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 p -134.44 145.34 48.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -1.09 . . . . 0.0 110.226 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 pt -119.57 158.18 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.364 -0.835 . . . . 0.0 110.223 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -81.59 160.13 23.89 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -65.59 -27.46 68.43 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.356 -0.84 . . . . 0.0 110.188 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.6 t -61.53 -30.87 70.91 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.289 -0.882 . . . . 0.0 110.159 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -93.11 -16.23 25.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.413 -0.804 . . . . 0.0 110.356 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.7 tp -53.58 -53.57 49.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.231 -0.918 . . . . 0.0 110.452 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.23 84.72 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 110.224 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.419 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 43.1 m -68.98 -38.3 79.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.295 -0.878 . . . . 0.0 110.079 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.58 -36.62 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.379 -0.825 . . . . 0.0 109.795 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 42.4 mtt -69.45 -37.15 77.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.361 -0.837 . . . . 0.0 109.788 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -65.87 -36.25 82.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.422 -0.799 . . . . 0.0 110.113 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -69.25 -37.76 78.1 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.367 -0.833 . . . . 0.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.8 mt -63.92 -27.33 69.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.365 -0.834 . . . . 0.0 110.2 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.34 40.08 0.31 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.5 mt -128.55 176.37 7.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.307 -1.114 . . . . 0.0 110.132 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -167.23 63.7 0.7 Allowed Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.349 -0.844 . . . . 0.0 110.192 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.9 137.99 25.26 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 O-C-N 123.771 1.406 . . . . 0.0 110.431 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.73 171.33 1.19 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.428 -0.795 . . . . 0.0 110.178 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -59.69 -27.47 66.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.32 -0.862 . . . . 0.0 110.179 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.63 76.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.338 -0.851 . . . . 0.0 110.052 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -41.49 95.41 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.402 -0.812 . . . . 0.0 110.066 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.59 -38.67 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.366 -0.834 . . . . 0.0 109.913 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -62.74 -40.84 98.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.364 -0.835 . . . . 0.0 110.029 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.92 -48.75 79.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.41 -0.806 . . . . 0.0 110.091 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.37 -38.79 88.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.347 -0.845 . . . . 0.0 110.002 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.4 mtt -69.71 -29.76 67.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.0 110.014 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -67.45 -39.22 85.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 110.097 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -72.36 -35.65 68.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.412 -0.805 . . . . 0.0 110.06 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mt -83.04 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.454 -0.779 . . . . 0.0 109.996 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.326 -0.859 . . . . 0.0 110.518 -179.793 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.196 0.522 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.453 HD13 HG21 ' A' ' 63' ' ' ILE . 71.9 mt -89.1 121.68 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.279 -0.888 . . . . 0.0 110.317 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -92.77 160.16 15.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 109.982 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CE2' HD13 ' A' ' 69' ' ' LEU . 14.8 t80 -55.92 -29.32 59.89 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.365 -0.834 . . . . 0.0 110.357 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -68.84 -54.02 18.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.331 -0.856 . . . . 0.0 110.003 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -66.39 -34.84 78.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.319 -0.863 . . . . 0.0 110.041 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.59 -48.89 77.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 110.033 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD13 ' CE2' ' A' ' 65' ' ' PHE . 47.4 mt -59.46 -39.84 84.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.289 -0.882 . . . . 0.0 110.196 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.72 77.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 110.048 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.1 -42.89 99.35 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.354 -0.841 . . . . 0.0 110.026 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.417 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 94.0 mmm -63.01 -35.28 79.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.967 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.418 -0.801 . . . . 0.0 110.185 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 121.075 0.464 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.47 -31.39 70.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.415 -0.803 . . . . 0.0 109.943 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.69 -43.05 90.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.47 -0.768 . . . . 0.0 110.041 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -43.64 91.71 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.997 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.51 -32.67 74.2 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.412 -0.805 . . . . 0.0 109.988 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.28 -47.02 75.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.841 . . . . 0.0 109.992 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.86 -45.6 91.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.322 -0.861 . . . . 0.0 110.086 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -61.66 -33.76 74.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.307 -0.871 . . . . 0.0 110.094 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -41.54 92.54 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.374 -0.829 . . . . 0.0 110.056 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.36 -33.82 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.354 -0.841 . . . . 0.0 110.0 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -74.87 -27.93 60.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.185 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.77 176.09 9.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.335 -0.853 . . . . 0.0 110.206 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -149.21 50.09 0.97 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.815 . . . . 0.0 110.226 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -166.61 -62.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.404 -0.81 . . . . 0.0 110.157 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.83 -26.89 2.48 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.49 -32.35 71.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -1.071 . . . . 0.0 110.29 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.94 62.13 1.25 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 37.4 mt -136.18 127.04 27.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.344 -1.092 . . . . 0.0 110.162 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 pt -138.77 160.23 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.324 -0.86 . . . . 0.0 110.218 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.8 m -79.77 160.28 26.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.373 -0.829 . . . . 0.0 110.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.86 -34.14 53.02 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.402 -0.811 . . . . 0.0 110.482 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.64 -57.43 11.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.251 -0.906 . . . . 0.0 110.12 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.4 -28.49 66.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.363 -0.836 . . . . 0.0 110.004 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.432 ' CD2' ' CE2' ' A' ' 140' ' ' PHE . 16.2 tp -68.77 -46.54 68.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.418 -0.801 . . . . 0.0 110.07 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -65.37 -28.77 69.51 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.42 -43.34 77.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.134 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 68.5 t -65.88 -41.95 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.299 -0.875 . . . . 0.0 110.002 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' A' ' 140' ' ' PHE . 1.6 mt -60.69 -35.68 76.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.364 -0.835 . . . . 0.0 110.222 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.4 m -79.97 -30.36 39.74 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.458 -0.776 . . . . 0.0 110.149 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.8 t -74.54 -42.61 58.54 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.282 -0.886 . . . . 0.0 110.162 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.3 -25.22 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.335 -0.853 . . . . 0.0 110.213 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.84 27.2 38.86 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.03 -16.99 62.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.368 -1.078 . . . . 0.0 110.201 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt 54.93 44.91 27.55 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.271 -0.893 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.12 118.47 31.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.364 -0.835 . . . . 0.0 110.176 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -59.74 166.09 2.75 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.415 -0.803 . . . . 0.0 110.233 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.12 -29.55 69.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.293 -0.88 . . . . 0.0 110.191 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.28 -46.42 88.88 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.342 -0.849 . . . . 0.0 110.052 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.69 -51.86 65.56 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.356 -0.84 . . . . 0.0 110.155 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.61 -27.26 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.37 -0.832 . . . . 0.0 109.955 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.37 -48.9 25.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.332 -0.855 . . . . 0.0 109.981 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.44 -29.23 69.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.1 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.401 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 2.9 mtp -75.6 -37.5 59.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.425 -0.797 . . . . 0.0 110.001 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.49 -32.62 73.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.398 -0.814 . . . . 0.0 110.095 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -39.14 93.57 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.364 -0.835 . . . . 0.0 110.201 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -80.3 -33.19 37.83 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.298 -0.876 . . . . 0.0 110.395 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.53 -60.95 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.869 . . . . 0.0 110.254 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 t -56.92 107.64 0.42 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.353 -0.842 . . . . 0.0 110.412 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -167.63 32.12 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.428 -0.795 . . . . 0.0 110.176 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.9 -104.96 1.98 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -41.25 3.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.346 -1.09 . . . . 0.0 110.275 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -179.41 -38.0 0.07 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 153.7 28.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.356 -1.085 . . . . 0.0 110.112 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 79.9 mt -121.22 144.76 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.372 -0.83 . . . . 0.0 110.107 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -85.44 130.85 34.49 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.381 -0.825 . . . . 0.0 110.166 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.6 pt -70.08 -21.24 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.356 -0.84 . . . . 0.0 110.483 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -51.89 67.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.927 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -64.01 -38.41 90.96 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.391 -0.818 . . . . 0.0 110.143 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.432 ' CE2' ' CD2' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -69.84 -41.35 75.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.045 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.67 69.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.867 . . . . 0.0 110.116 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.15 -40.5 59.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.298 -0.876 . . . . 0.0 110.114 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.88 -32.48 74.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.352 -0.842 . . . . 0.0 110.092 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.02 -29.45 39.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -0.834 . . . . 0.0 110.201 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.378 -0.826 . . . . 0.0 110.227 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.169 0.509 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.99 -40.1 92.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.412 -0.805 . . . . 0.0 110.199 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -61.93 -47.79 83.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.128 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -61.62 -43.75 98.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.344 -0.848 . . . . 0.0 110.173 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.25 -31.95 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.408 -0.807 . . . . 0.0 109.98 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.0 89.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.332 -0.855 . . . . 0.0 110.008 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.21 -48.4 65.28 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.325 -0.859 . . . . 0.0 110.126 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.417 ' CE1' ' HE2' ' A' ' 72' ' ' MET . 23.8 m-85 -62.57 -38.18 89.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 0.0 110.025 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.9 ttmm -62.59 -39.94 95.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.232 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.48 -49.14 76.57 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.322 -0.861 . . . . 0.0 110.201 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.47 -27.19 65.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 0.0 110.128 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -74.96 -46.85 32.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.21 -0.932 . . . . 0.0 110.172 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.57 -24.76 64.64 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.413 -0.804 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.11 -31.42 72.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.231 -0.918 . . . . 0.0 110.379 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.428 ' CZ ' HG21 ' A' ' 34' ' ' THR . 65.2 m-85 -103.73 -27.7 12.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.31 -0.869 . . . . 0.0 110.41 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.27 -0.894 . . . . 0.0 109.971 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 p -148.42 148.62 30.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.31 -1.112 . . . . 0.0 110.177 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 pt -119.87 157.74 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.438 -0.788 . . . . 0.0 110.182 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -82.06 160.05 23.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.462 -0.774 . . . . 0.0 110.241 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -38.53 80.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.863 . . . . 0.0 110.339 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -55.79 -25.72 42.63 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -0.9 . . . . 0.0 110.349 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -95.05 -16.32 22.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.307 -0.871 . . . . 0.0 110.327 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -58.5 -49.95 75.53 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.222 -0.924 . . . . 0.0 110.346 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.79 85.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.374 -0.829 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.428 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 31.5 m -68.47 -40.34 81.06 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.363 -0.836 . . . . 0.0 110.092 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.87 -34.37 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.83 . . . . 0.0 109.89 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.1 mtt -72.86 -34.72 66.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.436 -0.79 . . . . 0.0 109.798 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -65.32 -35.51 81.21 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.513 -0.742 . . . . 0.0 110.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.6 m -80.2 -33.24 38.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.421 -0.799 . . . . 0.0 110.229 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.5 -22.14 66.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.36 -0.838 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.67 31.2 1.68 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.4 mt -122.18 178.33 4.97 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.307 -1.113 . . . . 0.0 110.021 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 p -167.32 64.78 0.74 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.287 -0.883 . . . . 0.0 110.38 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.5 137.74 25.85 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 O-C-N 123.7 1.369 . . . . 0.0 110.417 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -61.98 172.81 1.24 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.388 -0.82 . . . . 0.0 110.113 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -27.65 68.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.383 -0.823 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.72 -43.43 75.96 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.832 . . . . 0.0 110.117 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -67.79 -36.38 80.34 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.351 -0.843 . . . . 0.0 109.965 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.1 t -67.71 -40.23 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.368 -0.832 . . . . 0.0 109.945 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -61.88 -41.4 97.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.376 -0.827 . . . . 0.0 110.055 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.89 -48.37 82.11 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.381 -0.825 . . . . 0.0 110.107 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.28 -44.19 97.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.402 -0.811 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mtt -67.86 -29.11 68.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -0.824 . . . . 0.0 109.952 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -66.44 -37.08 84.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.432 -0.792 . . . . 0.0 109.985 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -75.61 -31.39 59.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.402 -0.811 . . . . 0.0 109.921 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.8 mt -87.26 -62.23 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.546 -0.721 . . . . 0.0 109.981 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.411 -0.806 . . . . 0.0 110.248 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.215 0.531 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.7 mt -82.17 131.3 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.412 -0.805 . . . . 0.0 110.306 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -94.23 160.11 14.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.391 -0.818 . . . . 0.0 110.046 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CE2' HD13 ' A' ' 69' ' ' LEU . 22.8 t80 -57.49 -33.15 67.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.308 -0.87 . . . . 0.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.9 t -66.49 -54.2 26.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.399 -0.813 . . . . 0.0 110.075 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.69 -35.18 78.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.342 -0.849 . . . . 0.0 110.035 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -64.93 -45.4 85.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.34 -0.85 . . . . 0.0 110.129 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.422 HD13 ' CE2' ' A' ' 65' ' ' PHE . 50.4 mt -59.63 -38.68 81.99 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.319 -0.863 . . . . 0.0 110.106 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.51 -50.79 41.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.432 -0.793 . . . . 0.0 109.971 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.36 -31.33 70.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.313 -0.867 . . . . 0.0 109.894 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.417 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 73.4 mmm -70.19 -41.53 73.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 109.96 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.411 -0.806 . . . . 0.0 110.053 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.197 0.523 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.65 -43.15 99.55 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.349 -0.845 . . . . 0.0 110.112 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.81 -43.9 97.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.347 -0.846 . . . . 0.0 110.137 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -45.85 92.36 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.346 -0.846 . . . . 0.0 110.08 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.11 -29.96 71.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.335 -0.853 . . . . 0.0 109.997 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -46.27 62.4 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.41 -0.806 . . . . 0.0 109.993 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.94 -44.82 95.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.396 -0.815 . . . . 0.0 110.088 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -63.39 -31.09 72.15 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.452 -0.78 . . . . 0.0 110.115 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -66.58 -42.61 86.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.359 -0.838 . . . . 0.0 110.203 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.53 -47.89 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.353 -0.842 . . . . 0.0 109.99 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.38 -27.37 68.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.334 -0.854 . . . . 0.0 110.205 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 95' ' ' ASN . 23.6 t0 -67.57 -30.32 69.91 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.316 -0.865 . . . . 0.0 110.187 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.93 -66.41 0.16 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.573 -0.704 . . . . 0.0 110.486 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ASP . 19.0 m120 -55.52 -70.1 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.272 -0.893 . . . . 0.0 110.348 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.47 -28.39 1.07 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -61.31 -58.91 6.33 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.371 -1.076 . . . . 0.0 110.193 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.0 50.9 0.19 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 81.6 mt -121.47 104.7 9.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.242 -1.152 . . . . 0.0 110.155 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.9 pt -126.14 159.77 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.351 -0.843 . . . . 0.0 110.306 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 t -79.89 160.3 26.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.25 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.9 -28.53 23.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.351 -0.843 . . . . 0.0 110.446 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.3 -53.07 49.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 0.0 110.108 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.88 -33.14 74.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.419 -0.8 . . . . 0.0 110.108 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.426 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 1.1 tp -67.5 -40.29 85.2 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.359 -0.838 . . . . 0.0 109.97 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -68.23 -37.22 80.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.362 -0.836 . . . . 0.0 110.258 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -67.44 -31.48 71.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.376 -0.828 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.6 t -74.95 -39.08 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.388 -0.82 . . . . 0.0 110.14 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -40.83 98.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.397 -0.815 . . . . 0.0 110.234 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.5 m -71.63 -32.39 67.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -68.14 -43.97 77.11 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.31 -0.869 . . . . 0.0 110.211 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.89 -29.38 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.395 -0.815 . . . . 0.0 109.971 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.88 27.09 22.6 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.39 150.1 42.02 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.325 -1.103 . . . . 0.0 110.123 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 64.53 3.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.423 -0.798 . . . . 0.0 110.26 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.5 mt -112.36 104.37 12.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.0 110.121 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.0 p -58.87 166.23 2.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.0 110.344 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.87 -29.63 70.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.386 -0.821 . . . . 0.0 110.14 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.93 96.73 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.423 -0.798 . . . . 0.0 110.111 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -65.4 -51.94 56.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.39 -0.819 . . . . 0.0 110.067 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.66 -28.37 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 109.94 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.16 -44.28 76.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.329 -0.857 . . . . 0.0 110.004 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.89 -29.13 68.16 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.364 -0.835 . . . . 0.0 109.95 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.28 -35.1 41.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.386 -0.821 . . . . 0.0 110.032 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.43 -26.28 62.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.416 -0.803 . . . . 0.0 110.158 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -69.53 -37.97 77.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.078 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -80.08 -29.87 39.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 110.189 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 59.7 t -96.67 -61.16 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.348 -0.845 . . . . 0.0 110.267 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 t -72.56 -159.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.388 -0.82 . . . . 0.0 110.243 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.03 40.63 28.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.385 -0.822 . . . . 0.0 110.496 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -149.5 -48.6 0.02 OUTLIER Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 45.6 m -128.7 -42.24 1.45 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.084 . . . . 0.0 110.185 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 133.24 -52.77 0.81 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -87.0 135.2 33.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.349 -1.089 . . . . 0.0 110.16 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 88.7 mt -102.84 146.67 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.317 -0.864 . . . . 0.0 110.119 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -92.57 137.84 32.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.456 -0.778 . . . . 0.0 110.17 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.1 pt -76.81 -21.2 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.329 -0.857 . . . . 0.0 110.418 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.55 -53.88 20.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.255 -0.903 . . . . 0.0 110.215 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.45 -40.44 97.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.388 -0.82 . . . . 0.0 110.147 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.426 ' CZ ' HD23 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -66.94 -44.41 80.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.839 . . . . 0.0 110.093 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.01 -30.2 70.79 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.392 -0.817 . . . . 0.0 110.088 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.32 -33.81 63.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.354 -0.841 . . . . 0.0 110.053 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.16 -34.08 74.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.408 -0.808 . . . . 0.0 110.198 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.0 mt -73.66 -49.74 24.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.339 -0.85 . . . . 0.0 110.237 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.33 -0.856 . . . . 0.0 110.108 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.208 0.528 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -61.41 -37.38 83.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 110.297 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.15 -44.95 86.93 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.383 -0.823 . . . . 0.0 110.216 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 6.1 mt-30 -66.84 -42.34 85.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.446 -0.784 . . . . 0.0 110.225 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.58 -31.67 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.348 -0.845 . . . . 0.0 110.052 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.56 81.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.422 -0.799 . . . . 0.0 110.078 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -67.03 -48.43 68.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.323 -0.86 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.43 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 23.2 m-85 -60.82 -37.83 83.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.343 -0.848 . . . . 0.0 110.148 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -61.06 -43.14 99.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.319 -0.863 . . . . 0.0 110.204 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.31 -53.73 53.0 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.352 -0.842 . . . . 0.0 110.159 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.28 86.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.299 -0.876 . . . . 0.0 110.149 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -68.05 -42.39 80.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.318 -0.864 . . . . 0.0 110.212 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -29.05 70.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 110.162 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 mt -63.19 -30.98 72.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.297 -0.877 . . . . 0.0 110.169 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.98 25.12 11.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.403 -0.811 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.19 -0.944 . . . . 0.0 110.425 -179.85 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 p -160.32 105.09 1.47 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.423 -1.045 . . . . 0.0 110.105 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.2 pt -109.16 149.23 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.136 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.33 158.54 26.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.407 -0.808 . . . . 0.0 110.174 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -60.78 -28.98 69.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.334 -0.853 . . . . 0.0 110.247 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -62.17 -28.38 69.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.357 -0.84 . . . . 0.0 110.221 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -93.66 -14.84 25.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.338 -0.851 . . . . 0.0 110.397 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 tp -54.5 -51.62 64.51 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.242 -0.911 . . . . 0.0 110.354 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.67 85.69 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 110.157 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -67.77 -37.81 82.6 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.327 -0.858 . . . . 0.0 110.064 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.43 -37.0 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.349 -0.844 . . . . 0.0 109.936 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.8 mtt -69.6 -35.79 75.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.404 -0.81 . . . . 0.0 109.98 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -66.1 -36.62 83.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.445 -0.785 . . . . 0.0 110.287 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -76.11 -30.86 58.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.355 -0.84 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.94 -23.18 63.16 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.339 -0.851 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.38 32.48 1.35 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.3 mt -123.36 176.3 6.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.313 -1.11 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -168.67 68.65 0.73 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.298 -0.876 . . . . 0.0 110.231 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.92 140.02 28.13 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.812 1.427 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.07 169.15 1.13 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.387 -0.82 . . . . 0.0 110.206 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.19 -29.79 68.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.36 -0.837 . . . . 0.0 110.214 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.46 -41.5 72.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.421 -0.8 . . . . 0.0 110.074 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.67 -39.73 94.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.314 -0.866 . . . . 0.0 109.861 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.34 -49.86 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.41 -0.806 . . . . 0.0 110.011 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -52.18 -43.72 64.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.328 -0.857 . . . . 0.0 110.392 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -58.01 -48.0 81.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.244 -0.91 . . . . 0.0 110.005 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.31 -50.67 64.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.339 -0.851 . . . . 0.0 109.882 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.66 -26.97 68.91 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.397 -0.814 . . . . 0.0 110.23 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.92 -38.45 79.55 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.287 -0.883 . . . . 0.0 109.842 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.2 -32.16 55.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -0.842 . . . . 0.0 109.851 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.6 mt -81.42 -62.8 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.508 -0.745 . . . . 0.0 109.809 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.394 -0.816 . . . . 0.0 110.305 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.096 0.474 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.423 HD12 HG23 ' A' ' 63' ' ' ILE . 81.6 mt -79.96 130.79 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.369 -0.832 . . . . 0.0 110.16 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -93.94 160.15 14.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.457 -0.777 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CE2' HD13 ' A' ' 69' ' ' LEU . 14.9 t80 -56.54 -32.7 65.39 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.545 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -62.2 -60.08 4.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.293 -0.879 . . . . 0.0 110.08 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.31 -33.99 75.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.333 -0.854 . . . . 0.0 110.149 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.77 -48.93 79.57 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.414 -0.804 . . . . 0.0 109.987 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.423 HD13 ' CE2' ' A' ' 65' ' ' PHE . 37.6 mt -59.92 -39.82 86.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -0.848 . . . . 0.0 110.0 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.43 61.24 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.428 -0.795 . . . . 0.0 110.061 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.7 mt -62.6 -35.88 80.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.352 -0.843 . . . . 0.0 109.979 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.43 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 74.7 mmm -63.92 -44.35 93.16 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.803 . . . . 0.0 109.975 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.454 -0.779 . . . . 0.0 109.992 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.229 0.538 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.99 -38.94 80.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.276 -0.89 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.48 -32.18 72.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.273 -0.892 . . . . 0.0 110.028 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.88 -45.91 66.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.394 -0.816 . . . . 0.0 109.985 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.57 -28.2 69.47 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.97 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -45.38 68.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.46 -0.775 . . . . 0.0 110.06 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.51 72.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.334 -0.854 . . . . 0.0 110.113 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.412 ' CD1' HG22 ' A' ' 137' ' ' ILE . 9.5 m-85 -61.3 -39.84 91.96 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.316 -0.865 . . . . 0.0 110.052 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -63.78 -41.15 98.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.353 -0.842 . . . . 0.0 109.992 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.4 t -64.7 -31.6 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.438 -0.789 . . . . 0.0 110.031 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CE2' ' CG2' ' A' ' 108' ' ' VAL . 5.8 m-85 -72.18 -32.91 67.27 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.408 -0.808 . . . . 0.0 110.161 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.5 167.68 2.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.33 -0.856 . . . . 0.0 109.985 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.39 -65.31 1.17 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 0.0 110.616 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.84 -78.47 0.11 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.349 -0.844 . . . . 0.0 110.46 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.57 -44.03 0.02 OUTLIER Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.0 124.97 20.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.341 -1.094 . . . . 0.0 110.107 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -72.45 64.35 1.4 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.4 mt -112.87 110.82 21.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.34 -1.094 . . . . 0.0 110.12 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.7 160.22 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.38 -0.825 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.87 160.25 26.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.328 -0.858 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.33 -26.46 18.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.353 -0.842 . . . . 0.0 110.442 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.44 -57.29 6.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.339 -0.851 . . . . 0.0 110.175 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.72 -26.81 65.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.326 -0.859 . . . . 0.0 110.174 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.43 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.3 tp -71.25 -45.34 63.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 110.127 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -63.95 -38.45 91.13 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.437 -0.789 . . . . 0.0 110.044 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -64.69 -41.76 95.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.318 -0.864 . . . . 0.0 110.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.451 ' CG2' ' CE2' ' A' ' 92' ' ' PHE . 71.3 t -64.15 -41.71 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.305 -0.872 . . . . 0.0 110.025 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.61 -26.95 67.33 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.349 -0.844 . . . . 0.0 110.225 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.4 m -69.01 -45.34 70.76 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.3 -0.875 . . . . 0.0 110.14 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.6 m -61.09 -44.55 97.19 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.281 -0.887 . . . . 0.0 110.111 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.454 HD13 HG22 ' A' ' 112' ' ' ILE . 95.2 mt -60.24 -19.89 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.335 -0.853 . . . . 0.0 110.231 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.68 15.99 60.72 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.77 106.34 2.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.23 -1.159 . . . . 0.0 109.928 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.8 63.85 0.46 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.384 -0.822 . . . . 0.0 110.28 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 52.8 mt -97.26 108.99 21.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 110.124 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.1 p -61.31 164.93 4.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.295 -0.878 . . . . 0.0 110.209 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -61.03 -32.38 71.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.447 -0.783 . . . . 0.0 110.2 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.51 97.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -0.875 . . . . 0.0 110.207 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.98 -52.62 40.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.356 -0.84 . . . . 0.0 110.088 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.7 t -61.14 -24.71 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.321 -0.862 . . . . 0.0 110.046 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.14 -47.94 39.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.255 -0.903 . . . . 0.0 110.122 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.78 -31.7 69.78 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.423 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 5.3 ttp -80.04 -24.87 40.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 0.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.41 ' CD2' ' CD1' ' A' ' 135' ' ' ILE . 11.1 mt -74.08 -44.8 52.74 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 110.429 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -32.15 72.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.341 -0.85 . . . . 0.0 110.456 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -80.13 -20.7 44.38 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.314 -0.866 . . . . 0.0 110.562 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 72.5 t -103.88 -36.3 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.261 -0.899 . . . . 0.0 110.373 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.0 t -61.2 -82.45 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.295 -0.878 . . . . 0.0 110.391 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 51.12 25.99 2.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.215 -0.928 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.5 -95.1 0.65 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.8 t -146.95 -44.54 0.18 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -1.092 . . . . 0.0 110.323 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -170.03 -38.84 0.03 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.72 132.49 36.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.315 -1.109 . . . . 0.0 110.092 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.41 ' CD1' ' CD2' ' A' ' 125' ' ' LEU . 59.5 mt -121.45 157.77 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -0.874 . . . . 0.0 110.068 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -88.13 143.58 26.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.279 -0.888 . . . . 0.0 110.17 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.412 HG22 ' CD1' ' A' ' 89' ' ' PHE . 16.5 pt -78.93 -16.1 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.358 -0.839 . . . . 0.0 110.599 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -64.01 -56.84 12.17 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.209 -0.932 . . . . 0.0 110.426 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -60.43 -44.49 95.72 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.317 -0.864 . . . . 0.0 110.42 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.43 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -62.62 -44.73 95.54 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.48 -29.74 70.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 110.148 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.13 -35.72 36.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.422 -0.799 . . . . 0.0 110.197 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.25 -39.82 94.15 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.427 -0.796 . . . . 0.0 110.228 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.7 mt -75.79 -27.58 58.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.405 -0.81 . . . . 0.0 110.172 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.441 -0.787 . . . . 0.0 110.184 179.902 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.105 0.478 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -61.82 -28.46 69.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.288 -0.882 . . . . 0.0 110.249 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -71.91 -46.01 59.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 110.033 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 24.9 mm-40 -69.84 -40.99 75.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 109.92 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.78 -29.29 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.466 -0.771 . . . . 0.0 109.889 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.12 72.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.345 -0.847 . . . . 0.0 109.891 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.71 -46.9 83.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.472 -0.767 . . . . 0.0 110.076 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 26.1 m-85 -60.82 -38.22 84.7 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.365 -0.834 . . . . 0.0 109.986 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -60.2 -40.2 89.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.387 -0.82 . . . . 0.0 110.065 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.67 -49.57 74.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.393 -0.817 . . . . 0.0 110.067 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.84 64.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.334 -0.853 . . . . 0.0 110.134 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CZ ' HG12 ' A' ' 27' ' ' ILE . 10.5 t80 -75.02 -34.5 61.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.82 . . . . 0.0 110.149 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -30.08 61.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.376 -0.827 . . . . 0.0 110.065 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.2 mt -62.8 -29.15 70.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.347 -0.845 . . . . 0.0 110.127 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.425 ' CZ ' HG21 ' A' ' 34' ' ' THR . 82.1 m-85 -111.41 30.89 6.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.361 -0.837 . . . . 0.0 110.242 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.321 -0.862 . . . . 0.0 110.249 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -159.95 134.16 7.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.32 -1.106 . . . . 0.0 110.476 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.42 HG12 ' CZ ' ' A' ' 16' ' ' PHE . 40.2 pt -118.54 159.24 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.369 -0.832 . . . . 0.0 110.14 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -81.92 159.42 23.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -64.01 -31.9 73.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.448 -0.782 . . . . 0.0 110.204 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.4 m -59.22 -28.44 66.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.376 -0.828 . . . . 0.0 110.207 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -92.6 -15.82 26.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.423 -0.798 . . . . 0.0 110.507 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.3 tp -55.75 -53.27 58.64 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.177 -0.952 . . . . 0.0 110.338 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.51 74.28 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.341 -0.849 . . . . 0.0 110.181 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.425 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 50.5 m -71.9 -39.92 69.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 0.0 109.993 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.22 -33.73 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.844 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.0 mtt -74.73 -34.05 62.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 0.0 109.877 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -68.2 -31.55 71.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.446 -0.784 . . . . 0.0 110.083 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 m -79.77 -33.18 40.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.417 -0.802 . . . . 0.0 110.151 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.29 -24.9 68.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.424 -0.797 . . . . 0.0 110.292 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.97 35.22 0.97 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.3 mt -121.86 -178.42 3.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -1.135 . . . . 0.0 110.118 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.64 68.27 0.86 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.333 -0.854 . . . . 0.0 110.108 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.42 137.64 25.9 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 O-C-N 123.667 1.351 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.93 168.42 2.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -59.33 -28.23 66.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.305 -0.872 . . . . 0.0 110.083 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.73 -39.34 70.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.362 -0.836 . . . . 0.0 109.994 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.7 -40.1 88.35 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.382 -0.824 . . . . 0.0 110.022 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.0 -40.81 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.36 -0.838 . . . . 0.0 109.96 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -62.98 -38.71 92.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.364 -0.835 . . . . 0.0 110.074 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.89 -47.57 82.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.437 -0.79 . . . . 0.0 110.023 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.13 -45.68 92.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.016 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.5 mtt -66.16 -28.17 68.57 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.37 -0.831 . . . . 0.0 109.819 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -65.99 -40.18 90.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.468 -0.77 . . . . 0.0 109.86 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -72.96 -31.36 64.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 109.981 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.8 mt -85.92 -60.07 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.394 -0.817 . . . . 0.0 109.97 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.379 -0.825 . . . . 0.0 110.206 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.16 0.505 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.8 mt -87.55 122.46 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.274 -0.891 . . . . 0.0 110.271 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.42 160.2 18.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 109.937 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -58.05 -25.77 61.63 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.292 -0.88 . . . . 0.0 110.418 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.0 t -72.24 -52.73 15.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.31 -0.869 . . . . 0.0 110.09 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -64.27 -33.03 74.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.432 -0.793 . . . . 0.0 110.003 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -64.45 -50.5 67.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.309 -0.87 . . . . 0.0 110.091 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.79 -34.09 72.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.155 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.11 -47.16 59.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.435 -0.791 . . . . 0.0 110.077 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mt -61.72 -39.93 93.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.363 -0.836 . . . . 0.0 110.066 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.445 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 88.0 mmm -65.21 -36.49 84.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 110.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.455 -0.778 . . . . 0.0 110.026 179.686 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.17 0.509 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -58.38 -27.36 64.17 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.331 -0.856 . . . . 0.0 110.144 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.74 -45.0 84.24 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.416 -0.802 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.56 -49.5 70.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.362 -0.836 . . . . 0.0 110.057 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.66 -30.71 70.07 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.341 -0.85 . . . . 0.0 110.019 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -64.91 -46.88 79.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.491 -0.756 . . . . 0.0 110.089 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.49 93.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.333 -0.854 . . . . 0.0 110.071 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.415 ' CD1' HG22 ' A' ' 137' ' ' ILE . 9.9 m-85 -60.11 -28.82 68.16 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.384 -0.823 . . . . 0.0 110.213 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -73.63 -41.67 62.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.399 -0.813 . . . . 0.0 110.102 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.2 t -60.47 -39.13 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.4 -0.813 . . . . 0.0 110.097 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CD1' HG21 ' A' ' 108' ' ' VAL . 12.2 m-85 -70.69 -25.04 62.79 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.414 -0.803 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -66.74 146.67 54.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.333 -0.854 . . . . 0.0 110.287 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -60.03 -62.83 1.58 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 110.155 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -106.23 -153.05 0.48 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.35 -0.844 . . . . 0.0 110.055 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -90.98 47.56 2.94 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.92 -155.48 0.57 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -1.104 . . . . 0.0 110.162 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.54 55.38 0.61 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.9 mt -140.92 110.31 6.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -1.118 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.37 160.58 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.33 -0.856 . . . . 0.0 110.185 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 t -79.45 160.26 26.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 110.292 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.48 -32.32 49.63 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.422 -0.799 . . . . 0.0 110.494 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.96 65.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.385 -0.822 . . . . 0.0 109.97 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -63.19 -34.46 77.69 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.344 -0.848 . . . . 0.0 110.035 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.422 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -66.17 -39.36 89.69 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 0.0 110.139 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -67.36 -38.15 84.34 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.84 . . . . 0.0 110.132 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -69.47 -36.7 76.81 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.402 -0.811 . . . . 0.0 110.157 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.417 HG21 ' CD1' ' A' ' 92' ' ' PHE . 80.3 t -67.27 -38.18 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.38 -0.825 . . . . 0.0 110.134 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.0 -37.97 78.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.412 -0.805 . . . . 0.0 110.067 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.5 m -80.03 -29.84 39.39 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.351 -0.843 . . . . 0.0 110.247 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -67.76 -42.68 81.38 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.327 -0.858 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.5 mt -62.24 -29.62 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.29 -0.881 . . . . 0.0 109.949 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.76 30.42 23.82 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.4 164.04 27.23 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.44 -1.035 . . . . 0.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 57.93 4.77 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.329 -0.857 . . . . 0.0 110.174 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.5 mt -131.1 105.63 7.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.409 -0.807 . . . . 0.0 110.174 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.0 p -65.24 -177.72 0.41 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.361 -0.837 . . . . 0.0 110.273 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.63 -34.19 75.31 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.393 -0.817 . . . . 0.0 110.194 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.389 -0.82 . . . . 0.0 110.185 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.53 -51.23 68.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.33 -0.856 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.3 t -61.77 -27.35 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.83 . . . . 0.0 109.9 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.55 -48.02 61.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.494 -0.754 . . . . 0.0 109.981 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.23 -29.19 70.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.381 -0.824 . . . . 0.0 110.029 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.405 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 3.3 mtp -79.16 -35.18 42.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.353 -0.842 . . . . 0.0 110.003 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.23 -39.91 95.95 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.455 -0.778 . . . . 0.0 110.167 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -61.64 -40.41 94.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.299 -0.876 . . . . 0.0 110.154 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.22 -34.84 36.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.445 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.7 t -79.97 -29.48 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.337 -0.852 . . . . 0.0 110.266 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.7 t -61.21 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.343 -0.848 . . . . 0.0 110.18 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -110.19 -29.69 8.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.829 . . . . 0.0 110.16 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -75.04 -106.98 0.1 OUTLIER Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.4 t -164.81 -46.68 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.317 -1.108 . . . . 0.0 110.214 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.43 -72.2 0.51 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -81.95 142.25 32.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.426 -1.044 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 81.1 mt -105.97 148.93 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.369 -0.832 . . . . 0.0 110.082 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -82.3 120.27 25.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.448 -0.783 . . . . 0.0 110.214 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 89' ' ' PHE . 7.3 pt -62.66 -17.78 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.259 -0.9 . . . . 0.0 110.431 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -57.38 -46.97 82.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 110.376 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -69.49 -50.55 44.21 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.885 . . . . 0.0 110.171 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.422 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.67 -37.27 83.46 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.346 -0.846 . . . . 0.0 110.039 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.04 98.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.085 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.15 93.72 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.358 -0.839 . . . . 0.0 110.09 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.8 mt -63.77 -36.03 82.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.865 . . . . 0.0 110.148 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.3 mt -79.31 -47.97 14.92 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.416 -0.803 . . . . 0.0 110.275 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.347 -0.846 . . . . 0.0 110.16 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.239 0.542 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.18 -40.07 92.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.31 -0.869 . . . . 0.0 110.232 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -62.21 -47.05 86.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.305 -0.872 . . . . 0.0 110.018 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.406 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 15.3 mm-40 -66.13 -44.97 82.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.441 -0.787 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.19 -29.82 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.406 -0.809 . . . . 0.0 109.95 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.8 83.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.802 . . . . 0.0 109.958 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -48.32 74.3 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.468 -0.77 . . . . 0.0 110.068 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.425 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 25.4 m-85 -61.91 -37.3 84.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.365 -0.835 . . . . 0.0 110.024 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -60.51 -40.63 92.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.427 -0.796 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.51 -49.29 71.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.386 -0.821 . . . . 0.0 110.233 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.56 -33.69 71.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.334 -0.854 . . . . 0.0 110.31 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.41 ' CE1' HG23 ' A' ' 27' ' ' ILE . 14.0 t80 -71.22 -39.92 71.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.262 -0.899 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.66 -28.48 64.82 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.433 -0.792 . . . . 0.0 110.262 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.3 -32.65 73.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.349 -0.845 . . . . 0.0 110.248 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' CZ ' HG21 ' A' ' 34' ' ' THR . 80.3 m-85 -106.54 26.94 9.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.328 -0.857 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.9 p -125.45 155.8 39.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.381 -1.07 . . . . 0.0 110.202 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.41 HG23 ' CE1' ' A' ' 16' ' ' PHE . 42.6 pt -126.72 158.05 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.388 -0.82 . . . . 0.0 110.171 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 m -81.81 159.93 23.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.247 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -40.04 93.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.352 -0.843 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -25.99 35.2 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.352 -0.843 . . . . 0.0 110.397 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -94.45 -17.23 22.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.339 -0.851 . . . . 0.0 110.448 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.66 -50.27 73.71 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.194 -0.941 . . . . 0.0 110.451 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.46 85.59 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.441 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 45.3 m -66.85 -38.79 87.04 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.389 -0.819 . . . . 0.0 110.064 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.66 -38.27 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.387 -0.821 . . . . 0.0 109.933 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.2 mtt -68.47 -36.08 78.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.42 -0.8 . . . . 0.0 109.979 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -66.92 -32.12 73.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.458 -0.776 . . . . 0.0 110.051 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 m -79.47 -35.07 40.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.119 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.43 -26.31 67.91 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.261 -0.899 . . . . 0.0 110.096 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.47 34.78 0.98 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.4 mt -119.66 179.67 4.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.351 -1.088 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -167.52 68.18 0.87 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.37 -0.831 . . . . 0.0 110.252 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.46 138.49 27.17 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.741 1.39 . . . . 0.0 110.346 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -60.37 167.96 2.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.324 -0.86 . . . . 0.0 110.223 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.84 -26.89 64.6 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.289 -0.882 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.64 -41.13 65.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.408 -0.807 . . . . 0.0 110.161 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.38 -37.28 86.54 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.387 -0.82 . . . . 0.0 110.066 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.03 -45.47 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.414 -0.804 . . . . 0.0 109.913 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.98 -39.09 90.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.449 -0.782 . . . . 0.0 110.028 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -63.19 -46.16 88.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.96 -45.91 91.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.393 -0.817 . . . . 0.0 110.119 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.7 mtt -65.11 -29.13 69.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.377 -0.827 . . . . 0.0 109.902 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -65.33 -42.57 92.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.496 -0.753 . . . . 0.0 110.052 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.71 -44.95 72.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.385 -0.822 . . . . 0.0 109.801 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.8 mt -65.57 -61.04 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.489 -0.757 . . . . 0.0 109.772 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 t0 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.383 -0.823 . . . . 0.0 110.211 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.151 0.5 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.3 mt -79.99 116.46 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.28 -0.887 . . . . 0.0 110.294 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -85.07 160.24 20.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.366 -0.834 . . . . 0.0 110.032 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CE2' HD13 ' A' ' 69' ' ' LEU . 13.8 t80 -56.34 -26.18 51.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.317 -0.865 . . . . 0.0 110.362 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -50.44 23.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -0.856 . . . . 0.0 109.991 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.57 -34.76 78.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.378 -0.826 . . . . 0.0 110.077 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.89 -51.68 60.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.124 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.422 HD13 ' CE2' ' A' ' 65' ' ' PHE . 42.2 mt -56.32 -38.18 70.95 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.351 -0.843 . . . . 0.0 110.115 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.83 73.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.954 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -62.61 -41.49 99.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.429 -0.795 . . . . 0.0 110.072 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.425 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 96.1 mmm -64.9 -30.6 71.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.092 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.417 -0.802 . . . . 0.0 110.2 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 121.21 0.529 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.8 -39.44 94.26 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.075 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.46 -48.03 83.01 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.392 -0.817 . . . . 0.0 110.125 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -45.92 90.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.317 -0.864 . . . . 0.0 110.018 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.79 -27.91 69.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.322 -0.861 . . . . 0.0 110.02 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.58 -46.34 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.427 -0.795 . . . . 0.0 110.063 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.95 -48.19 82.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.367 -0.833 . . . . 0.0 110.133 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -60.92 -28.57 69.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.399 -0.813 . . . . 0.0 110.132 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -70.59 -42.58 70.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.817 . . . . 0.0 110.051 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.42 -39.78 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.838 . . . . 0.0 110.102 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.45 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 9.2 m-85 -67.02 -29.83 69.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.338 -0.851 . . . . 0.0 110.214 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -79.58 129.45 34.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.836 . . . . 0.0 110.194 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.42 -27.0 10.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.389 -0.819 . . . . 0.0 110.214 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.86 -33.76 72.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 0.0 110.242 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.01 35.74 6.25 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -130.48 6.98 4.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.336 -1.096 . . . . 0.0 110.593 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 61.54 38.76 96.34 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.4 mt -128.72 113.81 15.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.419 -1.048 . . . . 0.0 110.23 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.44 HD13 HG23 ' A' ' 100' ' ' ILE . 46.4 pt -127.43 160.27 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m -79.7 160.45 26.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.85 . . . . 0.0 110.196 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.13 -35.08 33.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.44 -0.787 . . . . 0.0 110.56 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.6 85.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.368 -0.833 . . . . 0.0 110.004 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.51 -38.07 89.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.386 -0.821 . . . . 0.0 109.847 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.422 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.6 tp -61.24 -38.81 88.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 0.0 110.065 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -69.23 -40.64 77.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.421 -0.799 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -67.15 -27.4 67.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.4 -0.812 . . . . 0.0 110.187 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.45 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 89.0 t -75.09 -47.17 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.347 -0.846 . . . . 0.0 110.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.6 mt -63.2 -28.98 70.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.141 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.7 m -80.04 -31.87 39.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 0.0 110.214 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.96 -38.97 66.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.296 -0.877 . . . . 0.0 110.179 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.11 -26.78 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.36 -0.837 . . . . 0.0 110.082 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.32 31.03 32.07 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.26 161.73 30.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.377 -1.072 . . . . 0.0 110.263 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.7 60.58 5.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.845 . . . . 0.0 110.16 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 81.6 mt -135.53 118.52 16.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.4 p -81.78 -178.22 6.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 0.0 110.105 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -27.94 69.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.331 -0.856 . . . . 0.0 110.152 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.32 -43.97 84.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.331 -0.855 . . . . 0.0 110.078 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.63 -48.59 76.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.0 110.121 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.09 -30.83 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.372 -0.83 . . . . 0.0 109.901 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.24 -47.31 80.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.376 -0.827 . . . . 0.0 109.981 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.35 -30.33 71.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.377 -0.827 . . . . 0.0 109.892 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.411 ' HE3' ' CE1' ' A' ' 140' ' ' PHE . 1.1 ttp -80.13 -34.4 37.8 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.42 -0.8 . . . . 0.0 109.995 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.04 -37.07 86.08 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.435 -0.791 . . . . 0.0 110.218 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -66.19 -31.18 71.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.366 -0.834 . . . . 0.0 110.226 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -80.05 -32.6 39.4 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.419 -0.8 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.9 t -90.46 -26.77 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.309 -0.87 . . . . 0.0 110.309 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.3 p -61.66 117.38 5.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.279 -0.888 . . . . 0.0 110.198 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.02 -29.1 11.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.431 -0.793 . . . . 0.0 110.19 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 110.68 39.56 1.43 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.97 -57.01 2.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.34 -1.094 . . . . 0.0 110.208 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 160.08 -50.06 0.38 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -114.21 152.13 31.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.438 -1.037 . . . . 0.0 110.184 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 80.8 mt -105.93 143.66 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 110.065 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.35 125.12 32.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.369 -0.832 . . . . 0.0 110.19 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.9 pt -64.75 -18.6 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.385 -0.822 . . . . 0.0 110.468 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -59.55 -41.94 91.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.115 -0.99 . . . . 0.0 110.198 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.72 -46.12 48.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.311 -0.868 . . . . 0.0 110.089 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.422 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.94 -45.42 85.87 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.372 -0.83 . . . . 0.0 110.018 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.32 -31.97 73.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.392 -0.817 . . . . 0.0 110.064 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.79 62.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.392 -0.817 . . . . 0.0 110.197 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.3 mt -68.57 -35.98 78.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.184 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.91 -29.04 39.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 110.251 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.428 -0.795 . . . . 0.0 110.249 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.239 0.542 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.16 -34.15 75.86 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 110.168 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.9 -46.06 76.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.076 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.51 -42.99 86.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.325 -0.86 . . . . 0.0 110.096 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -66.1 -33.41 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.447 -0.783 . . . . 0.0 109.909 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -33.44 74.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.364 -0.835 . . . . 0.0 109.944 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -68.0 -49.21 62.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.077 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.442 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 27.2 m-85 -61.52 -36.09 79.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.333 -0.854 . . . . 0.0 110.028 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 13.5 ttmt -62.22 -42.01 98.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.348 -0.845 . . . . 0.0 110.185 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.95 -51.91 66.17 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -0.886 . . . . 0.0 110.135 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.86 85.46 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.324 -0.86 . . . . 0.0 110.157 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CE1' HG22 ' A' ' 27' ' ' ILE . 7.6 t80 -67.13 -40.05 86.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.323 -0.861 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.64 -27.75 65.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.364 -0.835 . . . . 0.0 110.221 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -63.34 -34.69 78.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.229 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 34' ' ' THR . 85.3 m-85 -107.36 27.98 8.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.29 -0.881 . . . . 0.0 110.217 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.397 -0.814 . . . . 0.0 110.155 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -149.64 140.57 22.85 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.372 -1.075 . . . . 0.0 110.198 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.417 HG22 ' CE1' ' A' ' 16' ' ' PHE . 40.1 pt -128.1 157.5 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.399 -0.813 . . . . 0.0 110.231 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.86 160.17 18.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.425 -0.797 . . . . 0.0 110.32 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -36.32 72.28 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.366 -0.834 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -57.02 -27.18 61.4 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.385 -0.822 . . . . 0.0 110.333 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -98.78 -17.98 18.2 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.31 -0.868 . . . . 0.0 110.358 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.17 -48.48 78.63 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.321 -0.862 . . . . 0.0 110.375 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.24 80.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.311 -0.868 . . . . 0.0 110.205 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.418 HG23 ' CZ ' ' A' ' 19' ' ' PHE . 51.8 m -68.14 -37.87 81.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.33 -36.05 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.36 -0.837 . . . . 0.0 109.91 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.8 mtt -73.62 -37.5 65.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.865 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.35 -30.39 70.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.421 -0.799 . . . . 0.0 110.115 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -33.87 38.94 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.379 -0.825 . . . . 0.0 110.16 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.29 -27.96 66.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.343 -0.848 . . . . 0.0 110.215 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.96 39.86 0.4 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -126.33 177.81 6.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.291 -1.123 . . . . 0.0 110.095 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p -167.47 67.22 0.84 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.389 -0.82 . . . . 0.0 110.189 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.5 137.56 25.57 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 O-C-N 123.857 1.451 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -66.29 174.43 2.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.294 -0.879 . . . . 0.0 110.133 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -59.49 -28.49 67.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.278 -0.889 . . . . 0.0 110.11 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.68 69.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.372 -0.83 . . . . 0.0 110.021 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -68.64 -36.11 78.17 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.094 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -68.04 -39.4 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.366 -0.834 . . . . 0.0 109.936 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -63.84 -40.01 95.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.432 -0.792 . . . . 0.0 109.969 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.48 -47.06 87.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.378 -0.826 . . . . 0.0 110.056 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.31 -46.87 84.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.337 -0.852 . . . . 0.0 109.999 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.2 mtt -66.85 -28.28 68.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.398 -0.814 . . . . 0.0 109.917 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -67.02 -36.21 81.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.433 -0.792 . . . . 0.0 109.935 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -79.39 -30.36 42.42 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.445 -0.784 . . . . 0.0 109.95 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.6 mt -88.51 -64.41 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.47 -0.769 . . . . 0.0 109.944 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.343 -0.848 . . . . 0.0 110.267 -179.905 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.153 0.501 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.43 HD11 HG21 ' A' ' 63' ' ' ILE . 84.0 mt -80.05 133.63 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.388 -0.82 . . . . 0.0 110.199 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.49 160.16 14.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.417 -0.802 . . . . 0.0 110.029 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.421 ' CE2' ' HE3' ' A' ' 13' ' ' LYS . 17.6 t80 -56.97 -36.36 70.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.873 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.3 p -62.54 -55.86 23.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.399 -0.813 . . . . 0.0 110.011 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.49 -29.4 70.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 0.0 110.044 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -68.66 -47.62 66.05 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.306 -0.871 . . . . 0.0 110.06 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.406 HD12 ' CE2' ' A' ' 65' ' ' PHE . 42.2 mt -59.56 -37.76 79.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.425 -0.797 . . . . 0.0 110.001 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.37 -45.34 76.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.407 -0.808 . . . . 0.0 110.014 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.19 -42.11 98.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.395 -0.816 . . . . 0.0 110.037 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.442 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 93.4 mmm -62.05 -39.41 92.28 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.386 -0.822 . . . . 0.0 110.028 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.389 -0.82 . . . . 0.0 110.057 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.155 0.503 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -51.88 -43.9 63.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.43 -0.794 . . . . 0.0 110.471 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.94 -43.31 96.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.353 -0.842 . . . . 0.0 110.07 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -37.09 83.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.334 -0.854 . . . . 0.0 110.119 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.25 -32.97 74.52 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.408 -0.808 . . . . 0.0 110.155 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.35 -46.37 55.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.392 -0.817 . . . . 0.0 110.136 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.3 93.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 110.202 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.412 ' CD1' HG21 ' A' ' 137' ' ' ILE . 9.6 m-85 -61.95 -35.65 79.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.341 -0.85 . . . . 0.0 110.175 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -62.96 -43.2 99.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 110.186 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.64 -32.15 56.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.411 -0.805 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -73.46 -28.0 61.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.402 -0.811 . . . . 0.0 110.141 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 95' ' ' ASN . 11.6 t70 -74.36 -29.66 61.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.361 -0.837 . . . . 0.0 110.2 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.15 -69.94 0.09 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.506 -0.746 . . . . 0.0 110.522 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 93' ' ' ASP . 24.1 t-20 -53.58 -37.98 63.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.187 -0.945 . . . . 0.0 110.417 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.55 43.06 4.35 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.46 -28.39 11.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.341 -1.094 . . . . 0.0 110.161 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.86 32.98 7.25 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mt -143.52 134.03 24.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.42 -1.047 . . . . 0.0 110.153 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.7 pt -146.34 160.22 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.406 -0.809 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.9 m -79.78 160.36 26.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.385 -0.822 . . . . 0.0 110.189 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.24 -27.42 14.8 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.37 -0.831 . . . . 0.0 110.428 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.83 39.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.366 -0.834 . . . . 0.0 110.032 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.96 -37.5 87.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 109.93 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -66.26 -39.25 89.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.382 -0.824 . . . . 0.0 110.086 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -65.47 -39.9 92.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.333 -0.855 . . . . 0.0 110.096 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -67.4 -31.83 72.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.326 -0.859 . . . . 0.0 110.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 68.0 t -70.78 -42.98 77.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.368 -0.833 . . . . 0.0 110.029 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -29.96 70.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.414 -0.803 . . . . 0.0 110.166 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.7 m -78.47 -43.19 27.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.267 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -44.03 97.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.332 -0.855 . . . . 0.0 110.176 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.31 -25.18 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.4 -0.812 . . . . 0.0 110.173 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.49 36.73 58.82 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 169.79 1.44 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.406 -1.055 . . . . 0.0 110.235 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 47.61 1.35 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.355 -0.841 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 84.6 mt -124.77 159.3 31.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.417 -0.802 . . . . 0.0 110.228 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 12.8 p -122.73 -171.73 2.34 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.364 -0.835 . . . . 0.0 110.186 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.04 -37.47 85.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.402 -0.811 . . . . 0.0 110.128 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.32 99.09 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.322 -0.861 . . . . 0.0 110.099 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.83 -49.45 65.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.391 -0.818 . . . . 0.0 110.064 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -65.06 -28.93 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.364 -0.835 . . . . 0.0 109.998 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.56 -41.92 75.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.349 -0.844 . . . . 0.0 109.97 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.61 -30.82 67.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.855 . . . . 0.0 109.949 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.5 mtp -75.71 -38.41 58.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 110.053 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.69 -35.27 79.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.353 -0.842 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -67.09 -42.13 85.13 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.368 -0.832 . . . . 0.0 110.136 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -29.98 38.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.351 -0.843 . . . . 0.0 110.215 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.7 t -89.75 -62.15 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.166 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.01 97.49 0.17 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.223 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -163.72 30.16 0.08 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.446 -0.784 . . . . 0.0 110.204 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -122.89 -89.31 0.92 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.2 m -116.56 -35.87 4.12 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.35 -1.088 . . . . 0.0 110.234 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 150.29 -37.37 0.92 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -82.08 113.7 20.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.414 -1.051 . . . . 0.0 110.187 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 135' ' ' ILE . 84.8 mt -91.14 141.29 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.121 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -86.33 138.49 31.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -0.847 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.412 HG21 ' CD1' ' A' ' 89' ' ' PHE . 18.1 pt -67.58 -21.3 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.445 -0.785 . . . . 0.0 110.411 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -59.92 -52.83 63.76 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.211 -0.93 . . . . 0.0 110.291 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -63.29 -49.88 72.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.339 -0.851 . . . . 0.0 110.204 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.424 ' CE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -60.91 -45.82 93.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.339 -0.851 . . . . 0.0 110.176 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.75 71.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.857 . . . . 0.0 110.16 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.02 -32.71 39.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.322 -0.861 . . . . 0.0 110.125 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.38 -40.11 95.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.348 -0.845 . . . . 0.0 110.159 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 88.1 mt -74.03 -67.8 0.58 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.42 -0.8 . . . . 0.0 110.097 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.8 t . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.41 -0.806 . . . . 0.0 110.677 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.28 0.562 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -52.42 -50.17 63.09 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.709 0.766 . . . . 0.0 109.785 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -54.38 -42.65 70.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.724 -0.61 . . . . 0.0 110.594 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 64.7 mt-30 -70.45 -42.71 71.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 109.982 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.1 mt -66.15 -29.47 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.419 -0.801 . . . . 0.0 109.854 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.36 -39.23 71.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.415 -0.803 . . . . 0.0 109.988 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -63.54 -47.3 82.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.424 -0.797 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 26.4 m-85 -61.11 -39.62 90.68 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.381 -0.824 . . . . 0.0 110.089 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -59.09 -40.47 85.37 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.425 -0.797 . . . . 0.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -62.3 -51.54 67.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.423 -0.798 . . . . 0.0 110.038 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -25.67 63.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.885 . . . . 0.0 110.154 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' A' ' 27' ' ' ILE . 18.9 t80 -78.64 -33.25 47.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.332 -0.855 . . . . 0.0 110.161 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.76 -28.53 55.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.386 -0.821 . . . . 0.0 110.248 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.38 -28.09 69.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.197 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CZ ' HG21 ' A' ' 34' ' ' THR . 95.8 m-85 -114.91 32.82 5.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.367 -0.833 . . . . 0.0 110.153 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.384 -0.823 . . . . 0.0 110.115 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -139.26 149.64 44.53 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.307 -1.114 . . . . 0.0 110.151 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' A' ' 16' ' ' PHE . 43.7 pt -125.36 159.48 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.369 -0.832 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -81.51 157.0 25.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.373 -0.83 . . . . 0.0 110.173 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -62.26 -29.14 70.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.307 -0.87 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -62.75 -33.83 75.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.412 -0.805 . . . . 0.0 110.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -86.23 -17.19 35.44 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.348 -0.845 . . . . 0.0 110.375 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -53.47 -50.33 65.54 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.909 . . . . 0.0 110.37 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.78 84.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.326 -0.859 . . . . 0.0 110.098 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.409 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 63.6 m -68.48 -37.13 79.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.0 110.021 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.42 -37.96 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.296 -0.878 . . . . 0.0 109.925 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.6 mtt -70.52 -35.89 73.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 109.947 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -65.67 -37.93 87.89 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.498 -0.751 . . . . 0.0 110.142 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -79.97 -28.75 39.54 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.108 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.2 mt -72.13 -23.56 61.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.358 -0.839 . . . . 0.0 110.313 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.97 33.53 1.14 Allowed Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.6 mt -124.2 172.24 9.21 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -1.131 . . . . 0.0 110.152 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -163.55 63.89 1.27 Allowed Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.346 -0.846 . . . . 0.0 110.215 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.36 138.06 26.74 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.81 1.426 . . . . 0.0 110.423 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.13 170.75 1.52 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.37 -0.831 . . . . 0.0 110.039 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -27.97 68.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.359 -0.838 . . . . 0.0 110.107 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.03 79.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.441 -0.787 . . . . 0.0 110.041 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -67.1 -38.84 86.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.832 . . . . 0.0 109.974 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -66.23 -38.3 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.386 -0.821 . . . . 0.0 109.91 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -34.15 77.38 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.381 -0.824 . . . . 0.0 109.974 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.25 -47.7 72.9 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.365 -0.834 . . . . 0.0 110.048 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.49 -39.9 95.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.374 -0.829 . . . . 0.0 109.978 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mtt -69.63 -27.64 65.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.426 -0.796 . . . . 0.0 109.993 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.43 -40.01 77.51 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.515 -0.74 . . . . 0.0 110.036 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -74.5 -30.96 62.01 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.371 -0.83 . . . . 0.0 109.86 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.37 -60.84 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.411 -0.806 . . . . 0.0 109.884 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t0 . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.399 -0.813 . . . . 0.0 110.238 -179.83 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.209 0.528 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.4 mt -79.86 124.6 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.226 -0.921 . . . . 0.0 110.189 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -87.68 160.11 18.25 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.326 -0.858 . . . . 0.0 110.148 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.417 ' CE2' HD13 ' A' ' 69' ' ' LEU . 15.7 t80 -58.3 -24.65 60.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.39 -0.819 . . . . 0.0 110.395 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.7 t -73.73 -51.27 17.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.89 -30.53 71.15 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.222 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -69.67 -47.97 61.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.374 -0.829 . . . . 0.0 110.123 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' A' ' 65' ' ' PHE . 49.2 mt -60.06 -36.08 76.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.203 -0.936 . . . . 0.0 110.09 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.52 -47.42 48.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 0.0 110.089 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.94 -34.33 74.55 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.4 -0.813 . . . . 0.0 110.08 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.421 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 79.0 mmm -70.62 -36.44 73.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.83 . . . . 0.0 110.072 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.402 -0.811 . . . . 0.0 110.145 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.217 0.532 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -52.65 -42.06 64.35 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.324 -0.86 . . . . 0.0 110.401 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.355 -0.841 . . . . 0.0 110.148 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.82 -37.91 87.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.477 -0.765 . . . . 0.0 110.16 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.8 mt -63.06 -36.3 83.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.383 -0.823 . . . . 0.0 110.218 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -67.4 -46.78 72.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.433 -0.792 . . . . 0.0 110.158 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.05 99.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.364 -0.835 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.407 ' CD1' ' CG2' ' A' ' 137' ' ' ILE . 3.3 m-85 -61.02 -37.34 82.23 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.285 -0.885 . . . . 0.0 110.218 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -65.64 -40.49 92.56 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.353 -0.842 . . . . 0.0 110.173 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.27 -31.21 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.299 -0.876 . . . . 0.0 110.115 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 6.3 m-85 -76.64 -27.61 55.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.329 -0.857 . . . . 0.0 110.232 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.26 162.71 25.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.412 -0.805 . . . . 0.0 110.152 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 96' ' ' GLY . 4.5 tptt -114.54 146.21 41.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.375 -0.828 . . . . 0.0 110.183 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 65.51 -68.3 0.12 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.491 -0.756 . . . . 0.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 148.8 61.05 0.01 OUTLIER Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -108.0 -28.26 9.67 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -1.042 . . . . 0.0 110.237 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.33 29.88 59.48 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.6 mt -130.96 108.06 9.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.376 -1.073 . . . . 0.0 110.16 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.402 HD12 ' CE1' ' A' ' 89' ' ' PHE . 42.4 pt -116.89 160.22 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.327 -0.858 . . . . 0.0 110.174 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 m -79.79 160.22 26.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.841 . . . . 0.0 110.22 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.35 -33.01 51.83 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.374 -0.829 . . . . 0.0 110.451 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.06 -53.27 52.4 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.261 -0.899 . . . . 0.0 110.099 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.53 -29.23 68.99 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.373 -0.83 . . . . 0.0 110.095 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 1.3 tp -67.18 -44.85 78.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.419 -0.801 . . . . 0.0 110.188 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -65.65 -40.6 92.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.426 -0.796 . . . . 0.0 110.16 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -63.22 -31.49 72.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.381 -0.824 . . . . 0.0 110.232 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.449 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 72.5 t -77.76 -44.74 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.337 -0.852 . . . . 0.0 110.125 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -28.96 66.16 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.394 -0.816 . . . . 0.0 110.225 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.5 m -80.27 -37.1 33.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.329 -0.857 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.6 m -62.45 -40.13 95.6 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.403 -0.811 . . . . 0.0 110.175 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 63.1 mt -64.24 -27.12 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.347 -0.846 . . . . 0.0 110.103 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.84 32.83 52.64 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.69 -178.86 0.6 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.339 -1.095 . . . . 0.0 110.136 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.0 37.04 1.7 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.362 -0.836 . . . . 0.0 110.214 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.6 mt -101.65 101.36 11.87 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.4 p -61.14 177.25 0.36 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.369 -0.832 . . . . 0.0 110.143 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.91 -29.84 69.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.365 -0.834 . . . . 0.0 110.172 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.58 89.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.376 -0.827 . . . . 0.0 110.299 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -61.6 -47.74 84.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.4 -0.813 . . . . 0.0 110.228 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.28 -31.97 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.388 -0.82 . . . . 0.0 110.126 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -43.34 78.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.38 -0.825 . . . . 0.0 110.166 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.63 -28.26 63.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.204 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.414 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 2.8 mtp -79.94 -29.99 39.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.377 -0.827 . . . . 0.0 110.158 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.7 mt -73.76 -39.53 64.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 110.26 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -65.73 -30.84 71.56 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.352 -0.843 . . . . 0.0 110.164 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.98 -32.79 39.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.149 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 61.5 t -94.06 -59.88 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.353 -0.842 . . . . 0.0 110.101 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 t -61.87 120.6 11.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.329 -0.857 . . . . 0.0 110.189 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -160.72 65.83 0.31 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.419 -0.801 . . . . 0.0 110.199 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 179.34 -91.43 0.08 OUTLIER Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.1 t -110.24 -26.59 9.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -1.11 . . . . 0.0 110.291 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 132.62 -8.31 5.26 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -79.77 103.17 9.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.186 -1.185 . . . . 0.0 110.212 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 13.7 mt -95.1 150.33 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.341 -0.849 . . . . 0.0 110.13 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.63 146.07 25.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.336 -0.852 . . . . 0.0 110.135 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.407 ' CG2' ' CD1' ' A' ' 89' ' ' PHE . 3.0 pt -78.73 -18.27 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -0.832 . . . . 0.0 110.505 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -71.51 -49.74 38.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.268 -0.895 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -62.3 -45.7 92.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 110.206 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.42 ' CZ ' HD23 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -65.84 -41.72 91.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.37 -0.831 . . . . 0.0 110.119 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.99 -29.34 70.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.383 -0.823 . . . . 0.0 110.132 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.71 -33.92 52.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 110.07 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.61 -35.24 79.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.403 -0.811 . . . . 0.0 110.099 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.38 -29.04 63.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 110.216 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.355 -0.84 . . . . 0.0 110.222 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.11 0.481 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -61.22 -36.69 80.63 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.354 -0.841 . . . . 0.0 110.15 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.4 -48.69 74.45 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 109.916 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -65.6 -44.98 84.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.377 -0.827 . . . . 0.0 109.93 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.95 -29.74 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.384 -0.823 . . . . 0.0 109.824 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.25 85.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 0.0 109.907 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.51 -50.39 72.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.435 -0.79 . . . . 0.0 109.979 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -58.6 -37.61 76.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.341 -0.85 . . . . 0.0 110.101 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 12.2 ttmt -63.53 -37.68 88.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.429 -0.794 . . . . 0.0 110.184 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -61.9 -53.54 54.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.344 -0.848 . . . . 0.0 110.153 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.44 -33.83 75.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.336 -0.852 . . . . 0.0 110.068 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE1' HG23 ' A' ' 27' ' ' ILE . 8.8 t80 -69.5 -35.52 75.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.349 -0.844 . . . . 0.0 110.193 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.43 -27.39 60.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.351 -0.843 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.5 -46.6 86.37 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CZ ' HG21 ' A' ' 34' ' ' THR . 93.0 m-85 -87.48 -26.65 23.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.393 -0.817 . . . . 0.0 110.201 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 0.0 110.155 179.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -144.73 144.59 31.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -1.088 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.423 HG23 ' CE1' ' A' ' 16' ' ' PHE . 38.0 pt -126.21 155.53 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.427 -0.796 . . . . 0.0 110.169 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -81.01 160.1 24.66 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.401 -0.812 . . . . 0.0 110.277 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -38.25 82.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.401 -0.812 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -25.58 42.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.387 -0.821 . . . . 0.0 110.431 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -97.27 -17.66 19.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.331 -0.856 . . . . 0.0 110.374 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.4 tp -56.56 -51.41 68.7 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.282 -0.886 . . . . 0.0 110.449 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.79 -37.97 77.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.327 -0.858 . . . . 0.0 110.122 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.429 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 36.5 m -67.28 -38.32 84.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -0.83 . . . . 0.0 109.887 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.6 t -59.75 -40.77 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.384 -0.823 . . . . 0.0 109.914 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.3 mtt -67.97 -35.75 78.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.389 -0.819 . . . . 0.0 109.824 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -68.07 -37.58 81.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.401 -0.812 . . . . 0.0 110.195 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 m -78.45 -33.06 48.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.89 . . . . 0.0 110.203 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.29 -27.22 65.22 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.386 -0.821 . . . . 0.0 110.209 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.17 33.91 1.19 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -117.69 176.09 5.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.343 -1.092 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 m -164.97 70.55 1.42 Allowed Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.385 -0.822 . . . . 0.0 109.954 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.9 140.27 34.76 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.749 1.394 . . . . 0.0 110.432 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -58.16 161.69 4.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.315 -0.865 . . . . 0.0 110.135 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -57.17 -27.96 62.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.31 -0.869 . . . . 0.0 110.03 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.93 -38.1 66.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 109.915 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.01 -36.91 84.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.351 -0.843 . . . . 0.0 109.92 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.31 -48.1 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.44 -0.788 . . . . 0.0 109.93 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -62.76 -41.63 99.31 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.402 -0.811 . . . . 0.0 109.968 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.59 -42.34 95.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.41 -0.806 . . . . 0.0 110.019 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.8 mt -63.19 -43.2 98.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 109.857 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 mtt -67.91 -28.75 67.77 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.455 -0.778 . . . . 0.0 109.9 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -39.46 87.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.484 -0.76 . . . . 0.0 110.001 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -73.45 -31.29 63.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.413 -0.805 . . . . 0.0 109.793 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.6 mt -85.55 -61.49 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.546 -0.721 . . . . 0.0 109.809 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.84 . . . . 0.0 110.197 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.112 0.482 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.1 mt -79.82 126.29 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.356 -0.84 . . . . 0.0 110.175 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -88.09 160.12 17.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.424 -0.797 . . . . 0.0 110.134 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.415 ' CE2' HD13 ' A' ' 69' ' ' LEU . 19.8 t80 -57.13 -26.04 59.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.36 -0.837 . . . . 0.0 110.334 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.5 p -71.8 -54.86 8.83 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.336 -0.852 . . . . 0.0 110.05 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -63.32 -30.44 71.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.385 -0.822 . . . . 0.0 110.252 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -70.16 -44.96 67.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 110.081 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.415 HD13 ' CE2' ' A' ' 65' ' ' PHE . 45.9 mt -60.24 -38.03 82.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 110.041 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.83 -49.86 54.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.393 -0.817 . . . . 0.0 110.014 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.02 -38.58 83.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.341 -0.849 . . . . 0.0 110.082 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.2 mmm -63.22 -40.32 97.12 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.329 -0.857 . . . . 0.0 110.165 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.31 -0.869 . . . . 0.0 110.207 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.216 0.531 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -59.75 -24.71 64.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.306 -0.871 . . . . 0.0 110.231 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.28 -41.01 70.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.0 110.143 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -43.27 74.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -0.885 . . . . 0.0 110.141 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 mt -66.54 -28.93 68.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.046 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -43.43 71.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.375 -0.828 . . . . 0.0 110.175 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.09 -48.81 77.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.26 -0.9 . . . . 0.0 110.222 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -62.32 -28.72 69.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.431 -0.793 . . . . 0.0 110.198 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -67.36 -45.69 75.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.365 -0.834 . . . . 0.0 110.134 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.07 -38.0 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -0.824 . . . . 0.0 110.063 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.441 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 9.5 m-85 -70.22 -26.63 63.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.396 -0.815 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -80.97 137.7 36.09 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 110.226 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -73.61 -29.5 62.42 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 0.0 110.208 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -110.54 -177.35 3.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.839 . . . . 0.0 110.258 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.51 35.74 4.86 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -104.44 -34.98 8.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.38 -1.07 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.41 53.01 0.84 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mt -134.41 99.65 4.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.416 -1.049 . . . . 0.0 110.211 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.5 pt -117.98 160.27 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.376 -0.827 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.7 t -79.69 160.17 26.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.341 -0.85 . . . . 0.0 110.232 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.45 -34.12 60.86 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.377 -0.827 . . . . 0.0 110.476 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -59.52 5.26 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.293 -0.879 . . . . 0.0 110.091 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -58.6 -26.9 64.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.411 -0.806 . . . . 0.0 110.114 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.431 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 4.0 tp -68.47 -44.73 74.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.402 -0.811 . . . . 0.0 110.04 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -65.93 -37.12 85.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 109.955 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -66.29 -31.49 72.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.436 -0.79 . . . . 0.0 110.145 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.441 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 65.1 t -78.84 -42.63 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.427 -0.795 . . . . 0.0 110.156 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -33.4 74.48 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.417 -0.802 . . . . 0.0 110.216 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 m -79.98 -34.62 38.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.325 -0.86 . . . . 0.0 110.317 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.9 t -65.88 -44.26 85.85 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.295 -0.878 . . . . 0.0 110.146 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.99 -24.72 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.313 -0.867 . . . . 0.0 110.13 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.17 31.46 57.41 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.51 166.18 4.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.42 -1.047 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 59.52 5.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.368 -0.833 . . . . 0.0 110.212 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.6 mt -136.52 142.38 43.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.847 . . . . 0.0 110.205 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.4 p -100.71 174.83 5.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.313 -0.867 . . . . 0.0 110.206 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.26 -37.0 74.09 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.376 -0.828 . . . . 0.0 110.204 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.15 96.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.381 -0.824 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.44 -47.6 81.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.312 -0.867 . . . . 0.0 109.98 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.6 t -61.73 -26.93 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.344 -0.848 . . . . 0.0 109.922 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.93 -49.91 53.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.081 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -33.3 75.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 0.0 110.088 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.8 ttp -74.77 -33.41 62.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.409 -0.807 . . . . 0.0 110.067 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.93 -44.69 88.66 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 110.02 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -62.18 -29.09 70.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.427 -0.796 . . . . 0.0 110.186 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -80.04 -39.57 29.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 59.6 t -87.49 -59.38 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 0.0 110.167 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.9 t -66.61 87.75 0.13 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.815 . . . . 0.0 110.186 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.23 -27.87 69.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.196 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -109.58 -106.71 3.03 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.44 -36.89 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.355 -1.085 . . . . 0.0 110.465 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -56.35 -97.26 0.01 OUTLIER Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.44 158.97 15.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.283 -1.128 . . . . 0.0 110.357 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.421 HG21 HD12 ' A' ' 135' ' ' ILE . 83.9 mt -131.02 158.38 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 109.985 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -92.83 128.54 38.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.307 -0.871 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.7 pt -79.91 -9.86 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.367 -0.833 . . . . 0.0 110.616 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -59.99 -56.91 15.8 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.145 -0.972 . . . . 0.0 110.387 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -32.69 64.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.344 -0.847 . . . . 0.0 109.816 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.431 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 2.0 t80 -70.04 -41.25 74.48 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.329 -0.857 . . . . 0.0 109.894 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.78 94.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -0.879 . . . . 0.0 109.827 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.49 98.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.43 -0.794 . . . . 0.0 110.086 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.0 mt -62.43 -35.83 80.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.401 -0.812 . . . . 0.0 110.13 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.25 -66.93 0.79 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 110.154 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.497 1.896 0 O-C-N 121.488 -0.757 . . . . 0.0 110.674 179.868 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.409 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 121.328 0.585 . . . . 0.0 110.245 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -52.29 -50.07 62.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.486 -0.759 . . . . 0.0 109.753 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.409 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 13.6 pt-20 -54.18 -43.17 70.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.684 -0.635 . . . . 0.0 110.572 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 10.2 mm100 -68.43 -45.22 73.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.333 -0.854 . . . . 0.0 110.036 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.8 mt -65.46 -32.8 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.357 -0.84 . . . . 0.0 109.846 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.88 95.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.465 -0.772 . . . . 0.0 109.988 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.74 -49.99 70.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.433 -0.792 . . . . 0.0 110.144 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.2 m-85 -60.76 -41.01 94.62 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.35 -0.844 . . . . 0.0 110.19 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 2.7 ttmm -61.75 -38.34 87.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.328 -0.857 . . . . 0.0 110.206 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -61.08 -51.38 69.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 0.0 110.16 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.57 -34.25 73.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.435 -0.791 . . . . 0.0 110.112 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' CE1' HG22 ' A' ' 27' ' ' ILE . 5.0 t80 -68.61 -50.12 54.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.361 -0.837 . . . . 0.0 110.271 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.69 -29.94 70.42 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.287 -0.883 . . . . 0.0 110.203 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.82 -32.02 73.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.868 . . . . 0.0 110.238 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CZ ' HG21 ' A' ' 34' ' ' THR . 43.3 m-85 -102.77 25.4 9.27 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 0.0 110.226 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.3 -0.875 . . . . 0.0 110.113 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 p -133.43 145.99 50.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.324 -1.104 . . . . 0.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.405 HG22 ' CE1' ' A' ' 16' ' ' PHE . 40.6 pt -126.44 157.54 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.332 -0.855 . . . . 0.0 110.219 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 m -84.18 160.16 20.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.181 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -39.94 84.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.39 -0.819 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.9 t -54.88 -24.77 24.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.382 -0.824 . . . . 0.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -95.3 -21.58 18.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.337 -0.852 . . . . 0.0 110.304 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -54.7 -53.65 52.14 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.27 -0.894 . . . . 0.0 110.434 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.07 77.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.247 -0.908 . . . . 0.0 110.173 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.415 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 37.7 m -69.32 -39.28 78.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.363 -0.836 . . . . 0.0 110.005 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.9 t -62.05 -34.3 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.332 -0.855 . . . . 0.0 109.774 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.3 mtt -72.61 -35.37 67.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.386 -0.821 . . . . 0.0 109.797 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -66.15 -30.82 71.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.405 -0.809 . . . . 0.0 110.093 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.7 m -79.06 -35.96 41.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.407 -0.808 . . . . 0.0 110.142 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.81 -22.25 66.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.796 . . . . 0.0 110.278 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.22 34.82 0.99 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -126.25 176.63 6.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -1.06 . . . . 0.0 110.129 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -167.93 65.56 0.71 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.373 -0.829 . . . . 0.0 110.225 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.75 137.34 24.62 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.775 1.408 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 m -62.61 176.07 0.71 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.395 -0.815 . . . . 0.0 110.104 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -33.57 74.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.365 -0.834 . . . . 0.0 110.048 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.68 92.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.847 . . . . 0.0 109.972 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.62 -41.62 92.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.394 -0.816 . . . . 0.0 109.901 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.2 t -64.06 -38.73 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.4 -0.812 . . . . 0.0 109.811 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -61.98 -38.78 89.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 109.894 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.99 -51.61 67.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.404 -0.81 . . . . 0.0 110.005 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.45 -43.57 98.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.393 -0.817 . . . . 0.0 109.99 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.5 mtt -67.59 -37.17 82.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.341 -0.849 . . . . 0.0 110.016 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -64.26 -27.71 69.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.4 -0.813 . . . . 0.0 110.201 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -86.65 -23.39 25.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -0.84 . . . . 0.0 110.204 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.411 HD13 HG22 ' A' ' 55' ' ' ILE . 3.7 mt -89.16 -50.2 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.863 . . . . 0.0 110.269 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.342 -0.849 . . . . 0.0 110.735 -179.377 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.204 0.526 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.5 mt -79.84 139.76 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.302 -0.874 . . . . 0.0 110.204 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.46 160.07 15.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.366 -0.834 . . . . 0.0 110.063 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CE2' HD13 ' A' ' 69' ' ' LEU . 14.7 t80 -57.84 -26.78 62.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.329 -0.857 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 t -71.28 -55.27 8.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.402 -0.811 . . . . 0.0 110.069 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -65.02 -31.61 72.93 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.36 -0.838 . . . . 0.0 110.079 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.38 -48.39 67.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.372 -0.83 . . . . 0.0 110.08 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.423 HD13 ' CE2' ' A' ' 65' ' ' PHE . 39.5 mt -59.37 -37.41 77.86 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.305 -0.872 . . . . 0.0 110.117 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.97 -47.21 72.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.511 -0.743 . . . . 0.0 110.051 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.97 -38.39 90.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.318 -0.864 . . . . 0.0 110.099 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.9 mmm -66.65 -42.0 87.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.19 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.324 -0.86 . . . . 0.0 110.254 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 121.21 0.528 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.57 -32.46 71.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.278 -0.889 . . . . 0.0 110.129 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -67.64 -34.17 76.43 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.443 -0.785 . . . . 0.0 110.068 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.21 -48.88 64.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.45 -0.781 . . . . 0.0 110.066 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.02 -33.38 71.93 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.369 -0.832 . . . . 0.0 110.119 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -68.03 -48.42 65.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.412 -0.805 . . . . 0.0 110.148 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.83 -44.55 92.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.353 -0.842 . . . . 0.0 110.023 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.405 ' CD1' ' CG2' ' A' ' 137' ' ' ILE . 3.5 m-85 -62.39 -40.36 96.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.343 -0.848 . . . . 0.0 110.083 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -60.86 -36.64 79.67 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.315 -0.866 . . . . 0.0 110.12 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.0 t -68.36 -37.09 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.363 -0.836 . . . . 0.0 109.826 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CG ' HG22 ' A' ' 108' ' ' VAL . 9.6 m-85 -77.91 -28.81 49.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.378 -0.826 . . . . 0.0 110.044 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.41 -32.28 17.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.412 -0.805 . . . . 0.0 110.411 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.51 -122.98 2.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.28 -0.887 . . . . 0.0 109.598 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -98.78 44.57 1.02 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.703 -1.248 . . . . 0.0 110.074 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.56 29.1 10.16 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.37 25.96 2.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.364 -1.08 . . . . 0.0 110.491 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.87 49.37 29.05 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mt -146.7 110.83 5.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.333 -1.099 . . . . 0.0 110.204 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.5 pt -122.69 160.15 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.332 -0.855 . . . . 0.0 110.244 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -79.77 160.31 26.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.42 28.32 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.347 -0.846 . . . . 0.0 110.539 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.51 -59.75 4.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.405 -0.81 . . . . 0.0 110.044 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.99 -29.63 67.37 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.364 -0.835 . . . . 0.0 110.04 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' A' ' 140' ' ' PHE . 2.1 tp -68.44 -43.04 77.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.463 -0.773 . . . . 0.0 110.079 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -64.85 -40.75 95.65 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.409 -0.807 . . . . 0.0 110.078 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -63.75 -33.78 76.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.371 -0.83 . . . . 0.0 110.155 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.427 HG22 ' CG ' ' A' ' 92' ' ' PHE . 76.9 t -71.94 -49.59 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.366 -0.834 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.0 -37.46 79.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.432 -0.793 . . . . 0.0 110.162 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.7 m -72.06 -42.76 65.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.418 -0.802 . . . . 0.0 110.183 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.7 t -62.08 -44.52 96.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.431 -0.793 . . . . 0.0 110.156 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 87.6 mt -62.44 -23.69 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.422 -0.799 . . . . 0.0 110.177 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.55 33.88 63.6 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.6 161.41 3.62 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.444 -1.033 . . . . 0.0 110.371 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.16 57.26 4.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.397 -0.814 . . . . 0.0 110.162 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.6 mt -130.18 167.86 17.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 0.0 110.395 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.5 p -124.79 -167.7 1.71 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.4 -0.813 . . . . 0.0 110.271 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.98 -33.12 63.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.386 -0.821 . . . . 0.0 110.2 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.88 79.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.374 -0.829 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.63 -46.22 66.71 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.331 -0.856 . . . . 0.0 110.115 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.04 -25.98 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.408 -0.807 . . . . 0.0 109.948 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.34 -49.27 28.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.027 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.09 -32.2 72.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.393 -0.817 . . . . 0.0 110.03 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.406 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 23.1 ttp -72.67 -28.84 62.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.793 . . . . 0.0 110.026 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.0 mt -74.57 -38.38 62.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.446 -0.784 . . . . 0.0 110.093 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -69.03 -27.9 66.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -0.887 . . . . 0.0 110.231 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -80.16 -26.53 39.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.89 . . . . 0.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 58.5 t -98.97 -30.74 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.383 -0.823 . . . . 0.0 110.144 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.4 t -63.54 140.95 58.92 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.321 -0.862 . . . . 0.0 110.221 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -162.99 -43.47 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.403 -0.811 . . . . 0.0 110.22 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -73.96 -81.49 0.43 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.83 -70.86 0.13 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.398 -1.06 . . . . 0.0 110.258 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.96 32.77 1.99 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -130.19 130.27 44.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.347 -1.09 . . . . 0.0 110.169 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.464 HD11 HG21 ' A' ' 135' ' ' ILE . 80.4 mt -134.08 143.26 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.37 -0.831 . . . . 0.0 110.217 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -82.13 149.11 28.15 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.36 -0.838 . . . . 0.0 110.082 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.405 ' CG2' ' CD1' ' A' ' 89' ' ' PHE . 21.1 pt -80.04 -21.51 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.36 -0.838 . . . . 0.0 110.364 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -59.44 -54.91 41.18 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.249 -0.907 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -62.14 -43.43 98.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.308 -0.87 . . . . 0.0 110.204 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.43 ' CE1' HD22 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.55 -45.14 84.53 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.403 -0.811 . . . . 0.0 109.975 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.91 -33.07 72.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.324 -0.86 . . . . 0.0 110.185 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.95 -27.5 39.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.29 -0.881 . . . . 0.0 110.187 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.25 -33.09 71.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.416 -0.803 . . . . 0.0 110.188 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.4 mt -73.16 -69.27 0.43 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.421 -0.799 . . . . 0.0 110.159 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.308 -0.87 . . . . 0.0 110.548 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.416 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.221 0.534 . . . . 0.0 110.163 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.8 -49.72 62.17 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.695 0.759 . . . . 0.0 109.68 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.416 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 11.0 pt-20 -57.51 -42.68 83.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.786 -0.571 . . . . 0.0 110.456 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.405 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 32.2 mt-30 -69.88 -45.07 68.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.417 -0.802 . . . . 0.0 109.923 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -66.0 -28.17 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.513 -0.742 . . . . 0.0 109.81 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.26 -38.69 71.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.835 . . . . 0.0 109.87 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -64.82 -48.49 74.2 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 0.0 110.11 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.6 m-85 -62.03 -37.89 86.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.255 -0.903 . . . . 0.0 109.934 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' CE ' ' CE2' ' A' ' 65' ' ' PHE . 11.3 ttmt -61.07 -40.93 95.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.42 -0.8 . . . . 0.0 110.221 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.22 -50.28 72.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -0.825 . . . . 0.0 110.059 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.45 76.99 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 110.061 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -69.34 -47.07 65.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.818 . . . . 0.0 110.179 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -28.93 70.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.423 -0.798 . . . . 0.0 110.174 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.25 -37.73 84.15 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.347 -0.846 . . . . 0.0 110.169 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CZ ' HG23 ' A' ' 34' ' ' THR . 91.5 m-85 -104.88 26.74 8.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.34 -0.85 . . . . 0.0 110.169 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.407 -0.808 . . . . 0.0 110.123 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -151.32 159.39 44.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.464 -1.021 . . . . 0.0 110.105 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 pt -124.11 159.87 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.433 -0.792 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -90.29 160.24 16.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.347 -0.846 . . . . 0.0 110.362 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -35.82 73.37 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.343 -0.848 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.02 -25.64 61.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.382 -0.824 . . . . 0.0 110.299 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -99.99 -15.25 18.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.388 -0.82 . . . . 0.0 110.502 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.39 -46.53 83.33 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.201 -0.937 . . . . 0.0 110.404 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.26 90.63 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.296 -0.878 . . . . 0.0 110.254 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.419 HG23 ' CZ ' ' A' ' 19' ' ' PHE . 71.2 m -62.55 -38.06 88.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.362 -0.836 . . . . 0.0 110.09 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.11 -41.49 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.366 -0.834 . . . . 0.0 109.831 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.0 mtt -68.95 -33.85 74.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.403 -0.81 . . . . 0.0 109.762 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -73.58 -37.06 65.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 110.042 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.77 -33.98 71.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.469 -0.769 . . . . 0.0 110.004 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.86 -36.57 83.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -0.788 . . . . 0.0 110.056 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.09 -12.2 1.64 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 mt -81.11 -176.48 5.97 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.144 -1.209 . . . . 0.0 110.165 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 m -168.94 66.65 0.64 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.408 -0.808 . . . . 0.0 110.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.74 137.75 25.27 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 O-C-N 123.738 1.388 . . . . 0.0 110.387 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 m -61.81 175.08 0.7 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 110.155 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.13 -27.33 68.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.255 -0.903 . . . . 0.0 110.115 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.87 68.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.375 -0.828 . . . . 0.0 110.102 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -66.15 -36.74 83.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.439 -0.788 . . . . 0.0 110.194 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.5 t -66.8 -40.5 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.367 -0.833 . . . . 0.0 110.081 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.84 -42.04 98.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.425 -0.797 . . . . 0.0 110.068 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -59.96 -47.95 83.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 0.0 110.045 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.44 -46.99 83.74 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.429 -0.794 . . . . 0.0 109.963 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.9 mtt -64.34 -30.03 71.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.377 -0.827 . . . . 0.0 109.874 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.07 -42.35 97.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.453 -0.779 . . . . 0.0 109.896 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -67.05 -40.8 87.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.403 -0.81 . . . . 0.0 109.934 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.7 mt -75.35 -59.5 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 0.0 109.875 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 110.049 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.168 0.509 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.0 mt -98.39 119.84 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.209 -0.932 . . . . 0.0 110.351 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.87 160.16 17.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.394 -0.816 . . . . 0.0 109.85 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CE2' HD13 ' A' ' 69' ' ' LEU . 13.9 t80 -56.3 -25.24 47.87 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.29 -0.882 . . . . 0.0 110.492 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.4 p -71.89 -51.05 24.14 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.277 -0.89 . . . . 0.0 110.15 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.53 -35.26 78.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.37 -0.831 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -63.36 -47.09 83.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.37 -0.831 . . . . 0.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD13 ' CE2' ' A' ' 65' ' ' PHE . 43.7 mt -61.24 -39.73 91.41 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.289 -0.882 . . . . 0.0 110.0 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.5 -46.07 70.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.419 -0.8 . . . . 0.0 110.047 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.3 mt -63.45 -36.19 82.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.413 -0.804 . . . . 0.0 110.136 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.8 mmm -67.74 -40.8 84.13 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.334 -0.854 . . . . 0.0 110.139 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.354 -0.841 . . . . 0.0 110.12 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.174 0.512 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -59.47 -27.14 65.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.38 -0.825 . . . . 0.0 110.213 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.03 -41.22 77.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 110.068 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -42.66 86.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.277 -0.889 . . . . 0.0 110.176 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.69 -35.95 81.35 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.45 -0.781 . . . . 0.0 110.018 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.93 -46.14 69.0 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.824 . . . . 0.0 110.093 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.1 99.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.302 -0.873 . . . . 0.0 110.031 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -64.57 -32.55 74.25 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.377 -0.827 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -65.52 -40.13 92.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.328 -0.858 . . . . 0.0 110.131 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.88 -36.59 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.375 -0.828 . . . . 0.0 110.038 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.97 -32.03 68.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 110.162 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.91 137.67 35.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.399 -0.813 . . . . 0.0 110.197 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -74.88 -45.37 43.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.165 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -86.1 -176.35 5.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.364 -0.835 . . . . 0.0 110.212 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.06 33.43 5.73 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.63 -31.85 10.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.348 -1.089 . . . . 0.0 110.2 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.81 67.63 0.8 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 31.1 mt -144.69 110.37 5.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.35 -1.088 . . . . 0.0 110.172 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 pt -132.34 160.05 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.362 -0.836 . . . . 0.0 110.358 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.78 160.12 26.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.378 -0.826 . . . . 0.0 110.201 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.23 -28.37 58.18 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.294 -0.879 . . . . 0.0 110.353 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.59 -56.84 11.33 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.422 -0.799 . . . . 0.0 110.082 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -61.61 -32.54 72.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.825 . . . . 0.0 110.036 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.429 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -67.29 -37.52 83.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.402 -0.812 . . . . 0.0 110.103 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -72.16 -33.88 68.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -70.32 -29.89 66.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 110.175 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.9 t -79.16 -33.04 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.434 -0.791 . . . . 0.0 110.185 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.59 -28.14 60.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.39 -0.819 . . . . 0.0 110.267 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -80.03 -41.74 25.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.356 -0.84 . . . . 0.0 110.358 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -42.56 99.39 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.282 -0.886 . . . . 0.0 110.244 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 74.4 mt -62.75 -27.36 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.337 -0.852 . . . . 0.0 110.078 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.17 32.72 47.36 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.45 161.17 12.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.402 -1.057 . . . . 0.0 110.17 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 60.62 6.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.367 -0.833 . . . . 0.0 110.16 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.1 mt -136.78 134.84 37.48 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.387 -0.821 . . . . 0.0 110.217 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.5 p -93.53 178.79 5.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.858 . . . . 0.0 110.194 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -33.22 74.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.88 95.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.336 -0.852 . . . . 0.0 110.166 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -65.91 -48.2 72.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.373 -0.829 . . . . 0.0 110.197 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.72 -29.67 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.375 -0.828 . . . . 0.0 110.046 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -48.94 56.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.315 -0.866 . . . . 0.0 110.053 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.51 -30.12 70.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.44 -0.788 . . . . 0.0 110.104 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.409 ' HE2' ' CE2' ' A' ' 140' ' ' PHE . 3.6 ttp -74.43 -32.17 62.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.344 -0.847 . . . . 0.0 110.029 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.5 mt -69.88 -40.89 75.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.452 -0.78 . . . . 0.0 110.195 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -61.91 -31.13 71.4 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.396 -0.815 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -80.0 -43.63 21.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.276 -0.89 . . . . 0.0 110.377 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 61.5 t -81.92 -56.19 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.385 -0.822 . . . . 0.0 110.25 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t -59.43 108.79 0.76 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.316 -0.865 . . . . 0.0 110.405 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -105.64 -39.69 6.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.325 -0.86 . . . . 0.0 110.103 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 132' ' ' SER . . . -84.54 -8.55 82.95 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 131' ' ' GLY . 1.1 t 70.21 -4.18 1.62 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.394 -1.062 . . . . 0.0 111.256 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.83 -77.15 1.26 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -109.69 146.76 34.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.463 -1.021 . . . . 0.0 110.149 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.45 HG22 HD13 ' A' ' 135' ' ' ILE . 83.9 mt -113.56 153.27 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.313 -0.867 . . . . 0.0 110.192 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -93.61 117.65 30.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.311 -0.868 . . . . 0.0 110.235 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.2 pt -60.4 -20.2 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.383 -0.823 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.23 -52.8 64.07 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.308 -0.87 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -68.86 -40.47 79.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.346 -0.846 . . . . 0.0 110.178 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.429 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -66.55 -45.7 78.5 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.299 -0.875 . . . . 0.0 110.21 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.43 72.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.852 . . . . 0.0 110.161 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.16 62.44 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.261 -0.899 . . . . 0.0 110.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 mt -68.74 -32.3 71.98 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.32 -0.863 . . . . 0.0 110.095 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.8 mt -78.38 -28.18 46.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.857 . . . . 0.0 110.292 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.366 -0.834 . . . . 0.0 110.289 -179.929 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.175 0.512 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.85 -32.63 72.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.31 -0.869 . . . . 0.0 110.179 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -70.35 -45.72 65.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.853 . . . . 0.0 109.969 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -68.74 -40.43 79.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.387 -0.82 . . . . 0.0 109.982 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.0 mt -67.35 -30.12 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -0.846 . . . . 0.0 109.862 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.28 69.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.401 -0.812 . . . . 0.0 109.903 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -66.06 -49.18 68.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.426 -0.796 . . . . 0.0 110.037 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -60.39 -38.04 82.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.314 -0.866 . . . . 0.0 110.019 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 10.0 ttmt -60.85 -39.64 89.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.385 -0.822 . . . . 0.0 110.062 179.752 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -62.35 -50.22 72.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.43 -0.793 . . . . 0.0 109.998 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.84 -34.08 71.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.419 -0.801 . . . . 0.0 110.043 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CE1' HG23 ' A' ' 27' ' ' ILE . 18.9 t80 -68.86 -39.55 79.8 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.381 -0.825 . . . . 0.0 110.068 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.69 65.67 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.377 -0.827 . . . . 0.0 110.136 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.19 -31.91 71.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.34 -0.85 . . . . 0.0 110.181 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.421 ' CZ ' HG21 ' A' ' 34' ' ' THR . 88.7 m-85 -111.35 30.57 6.81 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.389 -0.819 . . . . 0.0 110.087 179.957 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 p -153.57 140.37 19.07 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.367 -1.078 . . . . 0.0 110.214 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.426 HG23 ' CE1' ' A' ' 16' ' ' PHE . 45.3 pt -122.75 153.56 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.336 -0.852 . . . . 0.0 110.176 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 m -83.46 160.15 21.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.366 -0.834 . . . . 0.0 110.304 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -36.68 71.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.377 -0.827 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.4 p -58.39 -31.77 67.98 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.375 -0.828 . . . . 0.0 110.262 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -89.49 -17.59 28.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.424 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.53 -52.64 64.02 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.277 -0.889 . . . . 0.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.82 72.53 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.332 -0.855 . . . . 0.0 110.162 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.421 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 34.5 m -69.66 -38.95 77.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.345 -0.847 . . . . 0.0 110.011 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.6 t -61.36 -38.54 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.382 -0.824 . . . . 0.0 109.843 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 61.0 mtt -70.3 -34.03 72.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.379 -0.826 . . . . 0.0 109.981 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -64.86 -33.2 75.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.418 -0.801 . . . . 0.0 110.013 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.52 -34.75 40.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.391 -0.818 . . . . 0.0 110.232 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.8 mt -64.7 -24.83 67.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.391 -0.818 . . . . 0.0 110.152 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.54 37.09 0.7 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -125.7 176.05 7.18 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -1.077 . . . . 0.0 110.187 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -167.28 64.83 0.75 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.364 -0.835 . . . . 0.0 110.161 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -74.53 137.43 22.86 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.767 1.404 . . . . 0.0 110.453 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -63.22 178.99 0.45 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.426 -0.796 . . . . 0.0 110.052 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.46 -31.48 72.21 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.258 -0.901 . . . . 0.0 110.059 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.49 91.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.41 -0.806 . . . . 0.0 110.112 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.73 -42.66 90.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.346 -0.846 . . . . 0.0 109.955 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.54 -37.71 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.437 -0.789 . . . . 0.0 109.881 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -64.26 -38.23 90.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.497 -0.752 . . . . 0.0 109.981 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -62.06 -48.26 81.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 0.0 110.045 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -61.55 -45.08 95.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.371 -0.83 . . . . 0.0 110.072 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.2 mtt -66.54 -28.1 68.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.353 -0.842 . . . . 0.0 109.958 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -66.46 -39.63 88.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.413 -0.804 . . . . 0.0 109.977 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -74.55 -29.58 61.42 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 110.013 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.3 mt -87.32 -60.87 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.417 -0.802 . . . . 0.0 109.98 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.351 -0.843 . . . . 0.0 110.343 -179.761 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.12 0.485 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.0 mt -84.36 118.14 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.376 -0.828 . . . . 0.0 110.294 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -85.99 160.12 19.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.42 -0.8 . . . . 0.0 110.0 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 14.6 t80 -56.53 -26.43 54.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.331 -0.856 . . . . 0.0 110.404 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.5 p -72.93 -50.81 21.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.351 -0.843 . . . . 0.0 110.073 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.78 -29.24 69.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.824 . . . . 0.0 110.191 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -71.19 -48.75 49.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.401 -0.812 . . . . 0.0 110.171 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 65' ' ' PHE . 40.6 mt -60.2 -32.74 71.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.367 -0.833 . . . . 0.0 110.067 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.64 -48.18 49.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -0.831 . . . . 0.0 110.101 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.32 -39.4 86.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.311 -0.868 . . . . 0.0 110.031 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.0 mmm -67.3 -33.15 74.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.33 -0.856 . . . . 0.0 109.925 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.109 179.932 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 121.183 0.516 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -52.91 -43.65 66.36 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.319 -0.863 . . . . 0.0 110.392 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -64.51 -44.37 91.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.308 -0.87 . . . . 0.0 109.93 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -40.41 97.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 0.0 110.046 179.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.1 mt -63.12 -31.85 73.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.01 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.19 -50.16 61.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.07 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.73 92.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.329 -0.857 . . . . 0.0 110.134 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -62.38 -32.9 73.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.396 -0.815 . . . . 0.0 110.116 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -64.06 -43.5 95.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.376 -0.827 . . . . 0.0 110.097 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.41 -45.65 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 110.082 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.419 ' CE2' HG23 ' A' ' 108' ' ' VAL . 11.2 m-85 -64.92 -28.95 69.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 110.123 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 95' ' ' ASN . 5.7 t0 -61.84 -28.16 69.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.39 -0.819 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 -68.69 0.11 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.718 . . . . 0.0 110.649 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' ASP . 5.5 m120 -72.25 -76.08 0.12 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.237 -0.914 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.31 45.92 0.05 OUTLIER Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -119.98 7.12 10.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.376 -1.073 . . . . 0.0 110.53 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.68 53.35 46.03 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.1 mt -146.8 112.36 5.61 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.356 -1.085 . . . . 0.0 110.345 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.5 pt -132.28 160.2 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 t -79.93 160.19 26.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.289 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.99 -35.31 69.04 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.336 -0.853 . . . . 0.0 110.227 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.71 -50.02 72.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.095 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -64.17 -35.52 81.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.369 -0.832 . . . . 0.0 109.936 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.423 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -66.21 -39.49 89.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.408 -0.808 . . . . 0.0 110.001 179.783 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -46.95 77.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.362 -0.836 . . . . 0.0 110.185 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -59.97 -33.12 71.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.419 HG23 ' CE2' ' A' ' 92' ' ' PHE . 59.0 t -75.74 -38.35 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.429 -0.795 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.88 -26.69 65.25 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.293 -0.879 . . . . 0.0 110.168 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.6 m -79.11 -30.46 43.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.32 -0.862 . . . . 0.0 110.216 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 m -76.48 -37.35 56.99 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.292 -0.88 . . . . 0.0 110.228 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.8 mt -62.04 -26.92 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.134 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.13 37.13 19.41 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.92 -7.22 52.92 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.313 -1.11 . . . . 0.0 110.483 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.65 43.28 30.43 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.174 -0.954 . . . . 0.0 110.367 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.4 mt -96.79 115.64 27.78 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.113 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.8 p -62.19 165.18 6.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.37 -0.831 . . . . 0.0 110.124 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.3 -33.66 75.09 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.287 -0.883 . . . . 0.0 110.249 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.13 81.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.2 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.28 -51.33 58.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.412 -0.805 . . . . 0.0 110.142 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.57 -29.55 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.39 -0.819 . . . . 0.0 110.122 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.22 -41.05 86.39 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.171 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.28 -28.03 62.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.329 -0.857 . . . . 0.0 110.188 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.447 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 4.8 mtp -79.75 -31.23 40.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.384 -0.822 . . . . 0.0 110.173 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.0 mt -72.55 -42.27 64.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.283 -0.886 . . . . 0.0 110.149 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -66.15 -34.27 77.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.371 -0.831 . . . . 0.0 110.165 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -80.03 -29.25 39.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.402 -0.811 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 63.8 t -94.53 -61.81 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.407 -0.808 . . . . 0.0 110.122 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.4 t -61.4 139.31 58.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.32 -0.862 . . . . 0.0 110.208 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -129.32 -45.05 1.23 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.303 -0.873 . . . . 0.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.54 78.46 0.02 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.2 t -147.26 -53.76 0.22 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.334 -1.098 . . . . 0.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 164.47 -77.04 0.15 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -108.8 156.07 20.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.34 -1.094 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 83.5 mt -96.83 159.95 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.373 -0.829 . . . . 0.0 110.184 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -89.06 133.39 34.38 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.355 -0.841 . . . . 0.0 110.254 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.6 pt -76.72 -17.89 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.355 -0.84 . . . . 0.0 110.481 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -57.11 14.03 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.243 -0.911 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -63.21 -41.19 99.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.306 -0.871 . . . . 0.0 110.202 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.447 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -67.88 -39.69 83.66 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.35 -0.844 . . . . 0.0 110.096 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.86 -31.53 72.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.351 -0.843 . . . . 0.0 110.212 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.64 -34.58 40.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.52 -32.78 74.57 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.397 -0.814 . . . . 0.0 110.198 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.04 -48.35 13.43 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.369 -0.832 . . . . 0.0 110.235 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.388 -0.82 . . . . 0.0 110.191 -179.921 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.168 0.509 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.91 -40.95 95.07 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.288 -0.883 . . . . 0.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.83 -45.26 93.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.294 -0.879 . . . . 0.0 110.083 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.4 mm100 -67.9 -45.03 75.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 110.088 179.868 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.09 -29.11 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.307 -0.871 . . . . 0.0 110.031 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.24 -38.27 78.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.387 -0.821 . . . . 0.0 110.036 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.42 -47.38 70.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.421 -0.8 . . . . 0.0 110.189 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 22.4 m-85 -62.6 -35.33 79.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.349 -0.845 . . . . 0.0 109.99 179.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.63 -42.87 99.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.371 -0.831 . . . . 0.0 110.223 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.75 -46.34 88.51 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.337 -0.852 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.48 -27.82 62.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.287 -0.883 . . . . 0.0 110.294 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -79.29 -35.3 41.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.269 -0.894 . . . . 0.0 110.265 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.64 -28.32 60.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.865 . . . . 0.0 110.149 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.78 -36.61 84.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.387 -0.821 . . . . 0.0 110.174 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.424 ' CE2' HG22 ' A' ' 34' ' ' THR . 74.6 m-85 -99.96 23.71 9.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.389 -0.819 . . . . 0.0 110.183 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.32 -0.862 . . . . 0.0 110.138 179.965 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -160.0 153.63 22.59 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.318 -1.107 . . . . 0.0 110.305 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.421 HG21 HD12 ' A' ' 27' ' ' ILE . 38.8 pt -125.21 160.16 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.418 -0.801 . . . . 0.0 110.134 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -79.98 159.98 26.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.305 -0.872 . . . . 0.0 110.316 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -63.76 -40.09 95.86 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.43 -0.794 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 t -56.53 -26.89 56.13 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.437 -0.789 . . . . 0.0 110.401 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -90.78 -18.84 24.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.298 -0.876 . . . . 0.0 110.324 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.82 -52.39 64.16 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.28 -0.887 . . . . 0.0 110.373 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.03 82.89 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.345 -0.847 . . . . 0.0 110.153 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.424 HG22 ' CE2' ' A' ' 19' ' ' PHE . 59.3 m -68.09 -40.09 82.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 110.036 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.12 -34.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.301 -0.874 . . . . 0.0 109.918 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.9 mtt -70.24 -39.23 75.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.455 -0.778 . . . . 0.0 109.903 179.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -63.72 -35.41 80.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.403 -0.811 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -34.86 52.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.386 -0.821 . . . . 0.0 110.057 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.71 -23.99 66.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.17 32.9 1.19 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.8 mt -122.21 178.28 5.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -1.117 . . . . 0.0 110.23 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -169.77 67.76 0.59 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.377 -0.827 . . . . 0.0 110.098 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.48 140.49 30.1 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.781 1.411 . . . . 0.0 110.572 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.06 168.99 2.92 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.357 -0.839 . . . . 0.0 110.047 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -59.96 -26.75 66.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.322 -0.861 . . . . 0.0 110.171 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.53 -42.64 70.95 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.418 -0.801 . . . . 0.0 110.086 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -65.56 -40.31 92.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.846 . . . . 0.0 109.989 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.5 t -63.11 -40.25 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.384 -0.822 . . . . 0.0 109.901 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -61.16 -42.88 99.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.414 -0.804 . . . . 0.0 110.021 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.35 -48.85 79.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.417 -0.802 . . . . 0.0 110.076 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.08 -44.42 95.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.383 -0.823 . . . . 0.0 109.988 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.5 mtt -68.0 -29.72 68.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.395 -0.816 . . . . 0.0 109.857 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.31 -37.2 86.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.416 -0.803 . . . . 0.0 109.819 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -77.49 -38.25 49.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.415 -0.803 . . . . 0.0 109.857 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.6 mt -81.75 -65.68 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.412 -0.805 . . . . 0.0 109.876 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.431 -0.793 . . . . 0.0 110.222 179.957 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.289 0.566 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.9 mt -82.32 130.75 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.352 -0.843 . . . . 0.0 110.166 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -91.03 159.96 15.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 0.0 110.132 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.0 t80 -58.91 -27.73 65.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.346 -0.846 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 t -69.76 -55.39 10.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.37 -0.831 . . . . 0.0 110.09 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.12 -32.51 73.91 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.321 -0.862 . . . . 0.0 110.082 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -66.32 -49.42 67.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.41 -0.806 . . . . 0.0 110.121 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 65' ' ' PHE . 37.1 mt -59.91 -32.66 70.97 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.368 -0.833 . . . . 0.0 110.173 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.0 -49.79 41.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.445 -0.785 . . . . 0.0 110.092 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.46 -35.73 80.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.381 -0.825 . . . . 0.0 109.985 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.3 mmm -66.8 -44.42 81.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.359 -0.838 . . . . 0.0 110.058 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.409 -0.807 . . . . 0.0 110.034 179.803 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.231 0.539 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -64.08 -42.76 96.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.153 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -59.95 -41.59 92.21 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.279 -0.888 . . . . 0.0 110.176 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.15 -49.46 77.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 109.868 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mt -67.21 -27.28 67.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.424 -0.797 . . . . 0.0 109.757 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -70.25 -38.52 75.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.438 -0.789 . . . . 0.0 109.954 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.01 -44.66 53.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.389 -0.819 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CD1' HG23 ' A' ' 137' ' ' ILE . 16.3 m-85 -62.9 -37.92 88.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.322 -0.861 . . . . 0.0 110.058 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -65.72 -43.56 88.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 110.109 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.3 t -64.65 -27.48 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.415 -0.803 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -78.84 -36.06 43.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.374 -0.829 . . . . 0.0 110.217 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.03 145.51 27.66 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.293 -0.879 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 96' ' ' GLY . 0.2 OUTLIER -72.12 144.19 48.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.362 -0.837 . . . . 0.0 110.218 179.896 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 65.28 -69.5 0.1 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.545 -0.722 . . . . 0.0 110.611 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 145.1 45.94 0.04 OUTLIER Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -45.03 14.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.307 -1.114 . . . . 0.0 110.211 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.23 32.37 4.33 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.2 mt -126.17 102.31 7.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -1.042 . . . . 0.0 110.236 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.9 pt -124.88 160.26 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.358 -0.839 . . . . 0.0 110.209 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.8 m -79.82 160.24 26.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.308 -0.87 . . . . 0.0 110.145 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.4 -30.77 41.77 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.317 -0.864 . . . . 0.0 110.478 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.15 -53.13 54.36 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.376 -0.827 . . . . 0.0 110.039 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.52 -40.47 91.59 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.342 -0.849 . . . . 0.0 110.031 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.439 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -62.56 -39.83 94.9 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.354 -0.841 . . . . 0.0 110.129 179.913 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -65.03 -47.05 78.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.411 -0.805 . . . . 0.0 110.124 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -61.85 -28.45 69.5 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.415 -0.803 . . . . 0.0 110.157 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.0 t -77.46 -44.01 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.399 -0.813 . . . . 0.0 110.158 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -32.7 70.52 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.349 -0.844 . . . . 0.0 110.272 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.8 m -79.93 -32.63 40.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.381 -0.825 . . . . 0.0 110.217 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -72.38 -38.37 68.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 0.0 110.264 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 57.0 mt -63.54 -27.23 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.319 -0.863 . . . . 0.0 110.122 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.12 40.25 11.76 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 3.2 mm-40 -85.31 4.07 36.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.398 -1.06 . . . . 0.0 110.571 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.585 ' O ' ' C ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER 67.69 -64.48 0.27 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.446 -0.784 . . . . 0.0 110.343 -179.643 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.585 ' C ' ' O ' ' A' ' 115' ' ' LYS . 15.3 mt 11.77 98.14 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 121.218 0.532 . . . . 0.0 112.334 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.4 p -56.72 165.64 1.14 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.335 -0.853 . . . . 0.0 110.27 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -60.24 -30.37 69.37 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.305 -0.872 . . . . 0.0 110.202 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.18 -32.54 73.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.349 -0.845 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.9 -52.0 48.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.379 -0.826 . . . . 0.0 110.115 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.55 -27.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.93 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -69.72 -47.79 61.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.378 -0.826 . . . . 0.0 109.954 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.81 -37.21 81.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.327 -0.858 . . . . 0.0 109.971 179.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.456 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 1.6 mtp -71.4 -36.72 71.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.418 -0.801 . . . . 0.0 109.93 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.54 -43.27 99.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.444 -0.785 . . . . 0.0 110.021 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -55.13 -48.94 72.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.362 -0.836 . . . . 0.0 109.763 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -69.87 -21.9 63.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.775 . . . . 0.0 109.677 179.15 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 128' ' ' VAL . 82.9 t -112.2 50.77 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.237 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.0 p -146.84 28.05 1.05 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.932 -1.105 . . . . 0.0 110.331 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.74 58.01 1.62 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.37 -0.832 . . . . 0.0 110.182 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -135.62 -88.93 0.27 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.5 t -166.25 -68.1 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.296 -1.12 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.81 30.51 1.24 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -155.06 160.11 40.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.343 -1.092 . . . . 0.0 110.137 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.429 HD13 HG23 ' A' ' 135' ' ' ILE . 83.8 mt -133.35 159.64 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.374 -0.829 . . . . 0.0 110.153 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -104.53 141.19 36.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.395 -0.816 . . . . 0.0 110.257 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.424 HG23 ' CD1' ' A' ' 89' ' ' PHE . 13.0 pt -80.04 -20.24 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.404 -0.81 . . . . 0.0 110.613 -179.841 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.49 -66.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.111 -0.993 . . . . 0.0 110.428 -179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -55.38 -44.01 75.68 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.222 -0.923 . . . . 0.0 110.528 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.456 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 1.4 t80 -61.09 -51.29 69.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -0.865 . . . . 0.0 110.08 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.27 -28.79 67.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.384 -0.822 . . . . 0.0 110.132 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.52 -38.4 55.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.451 -0.781 . . . . 0.0 109.996 179.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.14 -37.06 81.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 110.086 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.28 -24.3 60.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.433 -0.792 . . . . 0.0 110.333 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 110.233 179.977 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.16 0.505 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.0 -42.85 81.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.385 -0.822 . . . . 0.0 110.287 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.0 -48.65 79.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.395 -0.816 . . . . 0.0 109.696 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.435 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.3 mt-30 -65.22 -46.78 79.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.452 -0.78 . . . . 0.0 109.809 179.565 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.5 mt -62.12 -28.42 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 109.919 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.65 77.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.293 -0.879 . . . . 0.0 109.748 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.5 -49.67 65.79 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.403 -0.811 . . . . 0.0 110.292 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.551 ' CE1' ' HE2' ' A' ' 72' ' ' MET . 15.1 m-85 -60.55 -31.3 70.41 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.232 -0.918 . . . . 0.0 109.671 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 3.7 ttmm -65.55 -43.16 90.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.459 -0.776 . . . . 0.0 110.08 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.23 -44.15 97.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.442 -0.786 . . . . 0.0 110.17 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.58 -28.3 61.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.355 -0.84 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CE1' HG22 ' A' ' 27' ' ' ILE . 28.5 t80 -77.23 -41.82 39.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.216 -0.927 . . . . 0.0 110.152 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.56 -27.71 64.34 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.374 -0.829 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.7 mt -65.3 -31.5 72.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CE2' HG22 ' A' ' 34' ' ' THR . 54.3 m-85 -103.48 25.04 10.14 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.278 -0.889 . . . . 0.0 110.407 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.268 -0.895 . . . . 0.0 110.046 179.935 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p -158.75 144.51 16.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -1.127 . . . . 0.0 110.264 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.42 HG22 ' CE1' ' A' ' 16' ' ' PHE . 42.8 pt -130.18 158.99 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.32 -0.863 . . . . 0.0 110.203 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 m -84.59 159.93 20.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.391 -0.818 . . . . 0.0 110.136 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -34.99 76.1 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.432 -0.793 . . . . 0.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -27.01 62.14 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.389 -0.819 . . . . 0.0 110.43 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -93.87 -19.32 21.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.8 tp -52.66 -56.22 17.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.274 -0.891 . . . . 0.0 110.496 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.38 79.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.314 -0.866 . . . . 0.0 110.185 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.419 HG22 ' CE2' ' A' ' 19' ' ' PHE . 36.1 m -69.31 -40.03 77.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.298 -0.876 . . . . 0.0 110.143 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.61 -32.49 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.385 -0.822 . . . . 0.0 109.831 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.8 mtt -74.12 -35.75 64.15 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.406 -0.809 . . . . 0.0 109.788 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -34.23 77.92 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.475 -0.765 . . . . 0.0 110.1 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -78.45 -34.96 47.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.425 -0.797 . . . . 0.0 110.178 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.21 -24.97 65.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 110.254 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.14 36.67 0.85 Allowed Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.1 mt -121.64 172.76 7.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.309 -1.113 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -166.25 67.6 1.05 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.366 -0.834 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.45 138.5 24.57 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.767 1.404 . . . . 0.0 110.447 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -61.12 169.88 1.87 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.294 -0.879 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.48 -28.95 67.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.279 -0.888 . . . . 0.0 110.102 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.57 68.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.839 . . . . 0.0 109.923 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.79 -40.29 96.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.316 -0.865 . . . . 0.0 109.898 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.82 -47.59 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.381 -0.824 . . . . 0.0 109.857 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -44.98 69.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.32 -0.863 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -57.16 -47.45 81.18 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.299 -0.876 . . . . 0.0 109.936 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.63 -51.88 56.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.483 -0.761 . . . . 0.0 109.821 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.7 -24.37 67.75 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.398 -0.814 . . . . 0.0 110.114 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -69.66 -39.51 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.881 . . . . 0.0 109.596 179.512 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -77.21 -33.52 56.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.364 -0.835 . . . . 0.0 109.776 179.6 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 31.1 mt -87.73 -65.15 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.438 -0.789 . . . . 0.0 109.694 179.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.439 -0.788 . . . . 0.0 110.124 -179.989 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.164 0.507 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.8 mt -79.94 136.94 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.397 -0.814 . . . . 0.0 110.238 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.87 160.27 14.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.417 -0.802 . . . . 0.0 110.034 179.824 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.434 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.7 t80 -56.67 -45.17 81.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 110.544 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.5 p -57.49 -44.86 85.29 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.292 -0.88 . . . . 0.0 110.106 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.61 -39.53 88.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.377 -0.827 . . . . 0.0 109.585 179.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.5 ' O ' ' HB3' ' A' ' 72' ' ' MET . 49.6 t80 -62.26 -58.31 8.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.593 -0.692 . . . . 0.0 110.081 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.495 ' HA ' ' CG ' ' A' ' 72' ' ' MET . 82.9 mt -53.11 -30.75 38.28 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.19 -0.944 . . . . 0.0 110.297 -179.622 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.14 -48.71 12.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.296 -0.877 . . . . 0.0 110.07 179.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.82 -30.6 62.8 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.373 -0.83 . . . . 0.0 109.635 179.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.551 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -77.14 -36.2 55.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.594 -0.691 . . . . 0.0 109.693 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 72' ' ' MET . 19.7 t . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.604 -0.685 . . . . 0.0 110.021 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.278 0.561 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -66.99 -36.91 83.23 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.346 -0.846 . . . . 0.0 110.001 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.14 -47.15 83.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.417 -0.802 . . . . 0.0 110.076 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.2 -41.25 98.19 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.373 -0.829 . . . . 0.0 110.074 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.88 -35.06 78.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.39 -0.819 . . . . 0.0 110.126 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -48.68 72.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.339 -0.851 . . . . 0.0 110.06 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.37 -47.38 85.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.356 -0.84 . . . . 0.0 110.24 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.413 ' CD1' HG21 ' A' ' 137' ' ' ILE . 13.7 m-85 -61.8 -26.79 68.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.339 -0.851 . . . . 0.0 110.186 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -76.81 -41.04 45.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.332 -0.855 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.96 -41.53 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.379 -0.825 . . . . 0.0 110.141 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 108' ' ' VAL . 11.0 m-85 -65.4 -26.47 68.0 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.419 -0.801 . . . . 0.0 110.208 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.99 166.15 21.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.334 -0.853 . . . . 0.0 110.169 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -133.27 30.44 3.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.377 -0.827 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -135.27 -51.17 0.76 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.44 -0.788 . . . . 0.0 110.246 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.04 -30.69 3.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -64.88 -48.13 75.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -1.088 . . . . 0.0 110.241 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.68 66.25 0.34 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mt -134.17 104.11 6.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.401 -1.058 . . . . 0.0 110.232 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 pt -115.53 160.4 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.853 . . . . 0.0 110.222 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.5 m -79.59 160.2 26.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.848 . . . . 0.0 110.257 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.89 -37.52 63.82 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.334 -0.854 . . . . 0.0 110.467 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.19 58.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.832 . . . . 0.0 110.126 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -60.47 -27.72 67.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.325 -0.859 . . . . 0.0 110.145 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.41 HD22 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -68.48 -45.47 72.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.393 -0.817 . . . . 0.0 110.089 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -66.2 -32.4 73.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.386 -0.821 . . . . 0.0 110.079 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -70.77 -31.39 68.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.41 -0.806 . . . . 0.0 110.143 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.417 HG21 ' CE2' ' A' ' 92' ' ' PHE . 69.4 t -77.65 -45.26 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.375 -0.828 . . . . 0.0 110.028 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.2 mt -61.79 -32.21 72.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.318 -0.864 . . . . 0.0 110.151 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.9 m -80.1 -31.67 39.2 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.359 -0.838 . . . . 0.0 110.217 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 t -71.07 -38.95 72.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.299 -0.876 . . . . 0.0 110.12 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.43 -27.9 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.384 -0.822 . . . . 0.0 110.147 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.69 29.07 24.91 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.27 165.51 23.52 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.299 -1.118 . . . . 0.0 110.058 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -102.71 49.73 0.83 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.304 -0.872 . . . . 0.0 110.226 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 16.9 mt -95.62 103.39 15.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.888 . . . . 0.0 110.158 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -59.53 166.89 2.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.429 -0.795 . . . . 0.0 110.255 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -30.97 71.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.386 -0.821 . . . . 0.0 110.246 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.76 88.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.379 -0.825 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -67.19 -52.17 44.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.426 -0.796 . . . . 0.0 110.147 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.82 -28.85 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.438 -0.789 . . . . 0.0 110.043 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.54 -42.82 64.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.376 -0.828 . . . . 0.0 110.183 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.9 -28.71 62.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.312 -0.868 . . . . 0.0 110.191 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.6 mtp -78.25 -42.09 32.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.345 -0.847 . . . . 0.0 110.205 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.5 mt -66.5 -33.51 75.86 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.304 -0.873 . . . . 0.0 110.181 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -67.03 -40.8 87.27 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.425 -0.797 . . . . 0.0 110.226 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -79.88 -32.5 40.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.296 -0.877 . . . . 0.0 110.245 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 67.0 t -82.32 -58.17 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.071 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.3 t -63.22 127.36 30.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.139 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.28 44.7 2.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.315 -0.865 . . . . 0.0 110.327 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.07 80.7 0.21 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.5 m -160.01 -42.73 0.05 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -1.059 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.62 25.2 11.02 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -160.2 137.62 9.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.433 -1.039 . . . . 0.0 110.129 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.466 HD13 HG21 ' A' ' 135' ' ' ILE . 83.0 mt -130.1 134.54 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.282 -0.886 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -79.97 129.66 34.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 110.217 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.413 HG21 ' CD1' ' A' ' 89' ' ' PHE . 6.3 pt -69.44 -12.22 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.412 -0.805 . . . . 0.0 110.699 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.43 -66.95 0.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.185 -0.947 . . . . 0.0 110.251 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -55.71 -43.18 76.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.332 -0.855 . . . . 0.0 110.669 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.41 ' CZ ' HD22 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.79 -45.32 94.86 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.285 -0.885 . . . . 0.0 110.09 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.45 72.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.377 -0.827 . . . . 0.0 110.128 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.93 -34.24 57.67 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.033 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.23 -35.2 79.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.371 -0.83 . . . . 0.0 110.107 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.2 mt -79.93 -32.53 40.09 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.322 -0.861 . . . . 0.0 110.187 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.399 -0.813 . . . . 0.0 110.177 179.945 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.191 0.52 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -60.39 -36.44 78.09 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.321 -0.862 . . . . 0.0 110.195 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.21 -52.38 63.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.3 -0.875 . . . . 0.0 110.052 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -63.29 -43.49 97.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.306 -0.872 . . . . 0.0 110.09 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.1 mt -66.55 -34.34 69.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -0.901 . . . . 0.0 109.873 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.67 84.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.362 -0.836 . . . . 0.0 109.976 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.38 -49.58 59.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.449 -0.782 . . . . 0.0 109.983 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CD1' ' HE2' ' A' ' 72' ' ' MET . 23.8 m-85 -62.16 -35.3 78.37 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.383 -0.823 . . . . 0.0 109.876 179.76 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HE2' ' CZ ' ' A' ' 65' ' ' PHE . 11.7 ttmm -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.433 -0.792 . . . . 0.0 110.181 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.37 -51.27 68.26 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.323 -0.86 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.26 82.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.362 -0.836 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CE1' HG21 ' A' ' 27' ' ' ILE . 5.6 t80 -68.59 -46.95 68.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.315 -0.865 . . . . 0.0 110.232 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -27.54 69.39 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.307 -0.871 . . . . 0.0 110.276 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.77 -35.52 80.87 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.437 -0.789 . . . . 0.0 110.21 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CZ ' HG21 ' A' ' 34' ' ' THR . 89.5 m-85 -107.73 27.94 8.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.339 -0.851 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 110.211 179.967 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -159.2 136.07 9.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -1.053 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.424 HG21 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -124.55 159.94 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.415 -0.803 . . . . 0.0 110.16 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.71 160.01 25.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.412 -0.805 . . . . 0.0 110.221 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -28.01 68.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.363 -0.836 . . . . 0.0 110.188 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -36.5 80.81 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.381 -0.824 . . . . 0.0 110.136 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -83.86 -15.7 47.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.848 . . . . 0.0 110.441 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 tp -54.02 -51.04 65.25 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.263 -0.898 . . . . 0.0 110.482 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.4 91.1 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.301 -0.874 . . . . 0.0 110.135 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.43 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 63.5 m -68.24 -38.45 81.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.339 -0.851 . . . . 0.0 110.181 179.821 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.74 -35.08 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.35 -0.844 . . . . 0.0 109.904 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.7 mtt -72.69 -34.42 67.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.285 -0.884 . . . . 0.0 110.008 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -67.5 -34.88 78.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.404 -0.81 . . . . 0.0 110.167 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -80.12 -33.44 38.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.366 -0.833 . . . . 0.0 110.249 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.25 -22.07 66.64 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.368 -0.832 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.78 29.66 1.99 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.7 mt -124.28 178.89 5.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.364 -1.08 . . . . 0.0 110.193 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.4 p -167.38 67.81 0.88 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.389 -0.819 . . . . 0.0 110.174 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.1 139.38 29.58 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.72 1.379 . . . . 0.0 110.377 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.5 167.34 2.64 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.335 -0.853 . . . . 0.0 110.056 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -58.87 -27.58 65.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.293 -0.879 . . . . 0.0 110.23 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.65 80.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.365 -0.834 . . . . 0.0 110.031 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -66.93 -39.89 87.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 0.0 110.089 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.74 -37.01 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.327 -0.858 . . . . 0.0 109.871 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -66.97 -35.98 81.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.338 -0.851 . . . . 0.0 110.153 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.93 -44.27 90.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.385 -0.822 . . . . 0.0 110.077 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.41 -37.15 77.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.34 -0.85 . . . . 0.0 110.089 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.7 mtt -68.87 -31.01 69.65 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.392 -0.818 . . . . 0.0 110.093 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -70.24 -44.54 68.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 110.14 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.67 -27.96 67.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.373 -0.829 . . . . 0.0 110.088 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mt -88.02 -53.41 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.837 . . . . 0.0 110.081 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.12 -0.988 . . . . 0.0 110.639 -179.604 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.252 0.549 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 63' ' ' ILE . 77.4 mt -79.77 126.01 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.831 . . . . 0.0 110.333 -179.587 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.5 160.17 16.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.483 -0.76 . . . . 0.0 109.946 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CE2' HD13 ' A' ' 69' ' ' LEU . 14.5 t80 -55.12 -25.87 34.64 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.31 -0.868 . . . . 0.0 110.433 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 t -70.92 -57.74 4.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.911 . . . . 0.0 110.043 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.04 -29.75 71.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.462 -0.774 . . . . 0.0 110.137 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.45 -48.63 64.03 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.852 . . . . 0.0 110.073 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.437 HD13 ' CE2' ' A' ' 65' ' ' PHE . 38.7 mt -59.66 -34.32 72.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.242 -0.911 . . . . 0.0 109.952 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.22 -51.2 26.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -0.834 . . . . 0.0 110.087 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 mt -62.45 -29.45 70.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.383 -0.823 . . . . 0.0 110.069 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.426 ' HE2' ' CD1' ' A' ' 12' ' ' PHE . 81.9 mmm -74.67 -36.49 62.81 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.354 -0.842 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 0.0 110.198 179.936 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.291 0.567 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -60.82 -29.56 69.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.315 -0.866 . . . . 0.0 110.043 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.65 -39.68 80.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.415 -0.803 . . . . 0.0 109.957 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mt -63.59 -47.86 79.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.393 -0.817 . . . . 0.0 110.073 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.62 -29.31 70.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.456 -0.777 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.1 -46.75 64.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.364 -0.835 . . . . 0.0 110.07 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.9 95.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.311 -0.868 . . . . 0.0 110.062 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.436 ' CD1' ' CG2' ' A' ' 137' ' ' ILE . 6.6 m-85 -62.53 -30.9 71.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.368 -0.833 . . . . 0.0 110.085 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -67.18 -43.73 81.43 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.404 -0.81 . . . . 0.0 110.129 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.72 -38.24 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -0.839 . . . . 0.0 109.969 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -76.44 -21.12 56.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.424 -0.798 . . . . 0.0 110.347 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -58.78 171.21 0.68 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.274 -0.891 . . . . 0.0 110.308 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -69.7 0.54 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.382 -0.824 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -111.23 -62.83 1.49 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.302 -0.874 . . . . 0.0 110.188 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.18 40.63 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.82 -55.89 2.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -1.1 . . . . 0.0 110.141 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.1 49.16 0.19 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 81.7 mt -132.45 109.72 10.01 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -1.069 . . . . 0.0 110.175 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 pt -131.4 159.56 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.389 -0.819 . . . . 0.0 110.254 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 m -79.86 160.24 26.13 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.385 -0.822 . . . . 0.0 110.267 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.08 -27.74 34.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.388 -0.82 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.46 -52.75 42.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.374 -0.829 . . . . 0.0 110.045 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -62.8 -38.93 92.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.392 -0.817 . . . . 0.0 110.019 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.421 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -65.77 -36.43 83.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.42 -0.8 . . . . 0.0 110.164 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -68.77 -35.39 77.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.407 -0.808 . . . . 0.0 110.161 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -69.98 -31.9 69.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.358 -0.839 . . . . 0.0 110.173 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 68.6 t -74.38 -38.54 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.288 -0.882 . . . . 0.0 110.085 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.3 -28.77 65.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.391 -0.818 . . . . 0.0 110.145 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.6 m -79.7 -43.23 23.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.351 -0.843 . . . . 0.0 110.17 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.0 m -61.55 -44.01 97.82 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.369 -0.832 . . . . 0.0 110.136 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.1 -27.21 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.303 -0.873 . . . . 0.0 110.071 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.19 31.5 52.0 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.58 175.83 0.43 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.339 -1.095 . . . . 0.0 110.243 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -100.94 60.38 0.94 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.354 -0.841 . . . . 0.0 110.217 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 50.7 mt -127.08 116.48 20.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.282 -0.886 . . . . 0.0 110.251 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.0 p -77.9 -179.21 5.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.407 -0.808 . . . . 0.0 110.123 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.97 -38.46 88.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.351 -0.843 . . . . 0.0 110.151 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.93 87.48 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.41 -0.806 . . . . 0.0 110.091 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -66.59 -51.37 57.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.336 -0.852 . . . . 0.0 110.055 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.26 -27.29 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 109.98 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -69.25 -44.91 70.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.312 -0.868 . . . . 0.0 110.005 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.47 -35.17 68.15 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.414 -0.804 . . . . 0.0 110.109 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.443 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 3.2 ttp -72.77 -28.79 62.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.396 -0.815 . . . . 0.0 110.046 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -73.3 -43.36 61.08 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.366 -0.834 . . . . 0.0 110.203 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -66.82 -33.12 74.92 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 110.244 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.02 -29.74 39.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.364 -0.835 . . . . 0.0 110.426 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 80.7 t -93.72 -52.53 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.335 -0.853 . . . . 0.0 110.293 -179.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.5 t -61.02 112.26 2.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.394 -0.816 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.84 -38.76 2.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.68 -102.16 0.01 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.1 m -142.14 -65.52 0.41 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.332 -1.099 . . . . 0.0 110.236 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -138.59 40.94 1.41 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -144.36 117.3 8.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.414 -1.051 . . . . 0.0 110.107 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 70.8 mt -116.37 147.84 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.297 -0.877 . . . . 0.0 110.171 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -91.11 137.84 32.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 0.0 110.069 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.436 ' CG2' ' CD1' ' A' ' 89' ' ' PHE . 2.0 pt -74.4 -18.46 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.385 -0.822 . . . . 0.0 110.45 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -61.1 -65.0 0.76 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.294 -0.879 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 140' ' ' PHE . 6.3 pt20 -54.89 -42.81 72.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.347 -0.846 . . . . 0.0 110.495 -179.868 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.443 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -61.16 -43.75 98.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.358 -0.839 . . . . 0.0 110.122 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.95 -32.37 72.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.383 -0.823 . . . . 0.0 110.123 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.5 -43.42 76.88 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.432 -0.792 . . . . 0.0 110.086 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.32 -33.98 75.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.297 -0.877 . . . . 0.0 110.096 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 88.4 mt -79.84 -37.93 33.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.416 -0.803 . . . . 0.0 110.105 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.315 -0.866 . . . . 0.0 110.172 179.993 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.108 0.48 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.83 -36.22 82.5 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.323 -0.861 . . . . 0.0 110.112 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -69.4 -37.97 77.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.285 -0.885 . . . . 0.0 110.016 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -70.61 -44.41 67.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.425 -0.797 . . . . 0.0 110.018 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.4 mt -66.31 -32.16 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.4 -0.812 . . . . 0.0 109.848 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.69 71.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.415 -0.803 . . . . 0.0 109.98 179.7 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -50.14 63.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.409 -0.807 . . . . 0.0 109.967 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.417 ' CE1' ' HE1' ' A' ' 72' ' ' MET . 25.3 m-85 -60.7 -35.15 75.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.33 -0.856 . . . . 0.0 110.05 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -63.52 -39.25 93.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.373 -0.829 . . . . 0.0 109.968 179.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.22 -53.57 50.96 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.413 -0.804 . . . . 0.0 110.065 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.7 88.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.0 109.983 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.39 -42.32 83.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.379 -0.826 . . . . 0.0 109.942 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.51 71.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.419 -0.801 . . . . 0.0 110.153 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.11 -30.66 70.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.841 . . . . 0.0 110.06 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CZ ' HG21 ' A' ' 34' ' ' THR . 92.4 m-85 -109.45 21.6 16.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.389 -0.819 . . . . 0.0 110.285 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.353 -0.842 . . . . 0.0 110.141 179.961 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 p -143.88 118.64 9.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.369 -1.077 . . . . 0.0 110.185 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 pt -117.06 159.19 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.387 -0.821 . . . . 0.0 110.338 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 m -84.01 160.19 21.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.369 -0.832 . . . . 0.0 110.343 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -59.78 -41.18 90.54 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.35 -0.844 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.46 -27.14 46.39 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.282 -0.886 . . . . 0.0 110.373 -179.741 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -91.01 -16.24 28.27 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.32 -0.863 . . . . 0.0 110.434 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.01 -55.89 28.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.206 -0.934 . . . . 0.0 110.359 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.66 -31.53 69.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.425 -0.797 . . . . 0.0 110.099 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.418 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 60.7 m -72.45 -38.0 68.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.461 -0.775 . . . . 0.0 109.995 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.8 t -62.51 -38.19 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.4 -0.812 . . . . 0.0 109.832 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.0 mtt -71.89 -34.44 69.16 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.4 -0.813 . . . . 0.0 109.869 179.724 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.04 73.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.412 -0.805 . . . . 0.0 110.151 179.874 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.73 -31.43 41.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 110.112 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.07 -26.39 63.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.323 -0.86 . . . . 0.0 110.257 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.06 39.2 0.53 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 mt -123.78 174.44 7.5 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.402 -1.058 . . . . 0.0 110.085 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.9 62.62 0.68 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.303 -0.873 . . . . 0.0 110.178 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.05 137.92 27.29 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 O-C-N 123.705 1.371 . . . . 0.0 110.4 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.61 169.82 1.23 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.364 -0.835 . . . . 0.0 110.073 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -28.28 66.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.325 -0.859 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.39 82.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.367 -0.833 . . . . 0.0 110.042 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.94 -42.51 94.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.324 -0.86 . . . . 0.0 109.932 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.85 -40.69 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.426 -0.797 . . . . 0.0 109.87 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -61.73 -37.16 83.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -62.73 -50.18 72.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.085 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.47 -43.88 97.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.3 -0.875 . . . . 0.0 109.99 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 mtt -67.54 -39.62 85.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.421 -0.799 . . . . 0.0 110.084 179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -63.69 -26.72 68.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 109.984 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.66 -28.19 30.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.248 -0.908 . . . . 0.0 109.791 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mt -84.29 -50.98 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 110.128 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.295 -0.878 . . . . 0.0 110.637 -179.565 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.183 0.516 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.462 HD12 HG22 ' A' ' 63' ' ' ILE . 83.3 mt -84.1 120.51 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.402 -0.811 . . . . 0.0 110.137 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -86.99 160.11 18.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.314 -0.866 . . . . 0.0 110.063 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 69' ' ' LEU . 17.0 t80 -56.27 -27.19 54.39 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.287 -0.883 . . . . 0.0 110.327 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.6 p -69.1 -55.78 9.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.302 -0.874 . . . . 0.0 110.027 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.1 -30.42 71.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.378 -0.826 . . . . 0.0 110.006 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -66.45 -48.43 69.96 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.385 -0.822 . . . . 0.0 110.079 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 65' ' ' PHE . 35.8 mt -59.24 -42.76 91.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.396 -0.815 . . . . 0.0 110.153 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.0 96.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.372 -0.83 . . . . 0.0 110.009 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.7 mt -62.1 -41.34 98.11 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.418 -0.801 . . . . 0.0 109.991 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.417 ' HE1' ' CE1' ' A' ' 12' ' ' PHE . 96.3 mmm -63.76 -34.87 78.85 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.43 -0.794 . . . . 0.0 109.889 179.872 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.45 -0.781 . . . . 0.0 109.98 179.764 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.202 0.525 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -53.03 -41.26 64.57 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.353 -0.842 . . . . 0.0 110.475 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.6 -42.21 98.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.121 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.07 -46.9 88.77 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.417 -0.802 . . . . 0.0 110.066 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.74 -28.78 69.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.206 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -67.33 -46.36 73.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.37 -0.831 . . . . 0.0 110.117 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.21 83.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.381 -0.825 . . . . 0.0 110.11 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -60.81 -34.17 74.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.308 -0.87 . . . . 0.0 110.144 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -68.39 -40.1 81.49 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.304 -0.872 . . . . 0.0 110.087 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.74 -34.35 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.326 -0.859 . . . . 0.0 110.03 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CE2' HG22 ' A' ' 108' ' ' VAL . 9.4 m-85 -73.79 -34.52 64.67 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.332 -0.855 . . . . 0.0 110.217 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.43 97.3 9.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.866 . . . . 0.0 110.157 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.83 -27.31 23.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 110.359 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -60.91 -28.18 68.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.362 -0.836 . . . . 0.0 110.283 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.52 33.51 8.52 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.22 -64.04 1.37 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.366 -1.079 . . . . 0.0 110.145 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.4 -24.31 5.0 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.91 104.47 10.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -1.137 . . . . 0.0 110.329 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.3 pt -111.98 160.45 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.37 -0.831 . . . . 0.0 110.135 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -79.49 160.16 26.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.36 -0.838 . . . . 0.0 110.28 -179.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.96 -32.94 48.83 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.366 -0.834 . . . . 0.0 110.462 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.01 -56.73 17.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.83 . . . . 0.0 110.173 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -61.46 -30.9 70.89 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.402 -0.811 . . . . 0.0 109.961 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -42.47 72.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 109.965 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -62.53 -42.34 99.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.354 -0.841 . . . . 0.0 109.946 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.11 -40.25 97.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.883 . . . . 0.0 110.035 179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.417 HG22 ' CE2' ' A' ' 92' ' ' PHE . 76.5 t -62.83 -45.31 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.402 -0.811 . . . . 0.0 109.957 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -30.76 70.53 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.33 -0.857 . . . . 0.0 110.065 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.3 m -80.0 -42.47 23.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.434 -0.791 . . . . 0.0 110.177 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.6 m -62.46 -42.37 99.43 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.438 -0.789 . . . . 0.0 110.15 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 64.9 mt -59.65 -21.84 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.844 . . . . 0.0 110.311 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.07 25.43 44.71 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.05 152.36 39.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -1.117 . . . . 0.0 110.09 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.55 25.74 3.81 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.316 -0.865 . . . . 0.0 110.043 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 3.3 mm? -68.01 112.93 5.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.374 -0.829 . . . . 0.0 110.252 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.3 p -69.66 164.95 22.26 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.365 -0.834 . . . . 0.0 110.162 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.4 -28.77 68.5 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.312 -0.867 . . . . 0.0 110.136 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.26 74.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.291 -0.881 . . . . 0.0 110.074 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.23 -52.03 51.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.36 -0.837 . . . . 0.0 110.034 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.95 -27.33 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.348 -0.845 . . . . 0.0 109.855 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.25 -48.71 49.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.467 -0.77 . . . . 0.0 110.096 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.0 -29.06 64.91 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 0.0 110.077 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.429 ' CE ' ' CE2' ' A' ' 140' ' ' PHE . 3.3 ttp -80.01 -28.86 39.35 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.46 -0.775 . . . . 0.0 110.081 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.5 mt -74.11 -36.66 64.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.455 -0.778 . . . . 0.0 110.168 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -34.25 77.72 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.36 -0.838 . . . . 0.0 110.223 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.98 -29.81 39.62 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.385 -0.822 . . . . 0.0 110.361 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 64.9 t -89.88 -36.39 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.329 -0.857 . . . . 0.0 110.256 -179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.7 p -60.94 102.23 0.19 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.279 -0.888 . . . . 0.0 110.239 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -167.45 33.43 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.376 -0.828 . . . . 0.0 110.238 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -127.54 -86.47 0.54 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 m -142.22 -61.56 0.45 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.31 -1.112 . . . . 0.0 110.223 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -157.26 -45.06 0.02 OUTLIER Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -80.62 153.84 27.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.434 -1.039 . . . . 0.0 110.205 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 80.7 mt -119.77 146.82 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.371 -0.83 . . . . 0.0 110.086 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -82.34 136.24 35.04 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.399 -0.813 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 16.8 pt -73.85 -21.14 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.807 . . . . 0.0 110.366 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -54.64 43.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.287 -0.883 . . . . 0.0 110.193 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -62.26 -41.76 98.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.417 -0.802 . . . . 0.0 110.148 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.429 ' CE2' ' CE ' ' A' ' 124' ' ' MET . 0.3 OUTLIER -66.86 -46.03 76.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.018 179.886 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.72 73.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.36 -0.838 . . . . 0.0 110.168 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.72 -27.62 50.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.356 -0.84 . . . . 0.0 110.154 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.77 -30.88 63.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.395 -0.816 . . . . 0.0 110.208 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.58 -27.04 45.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.29 -0.881 . . . . 0.0 110.204 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.421 -0.799 . . . . 0.0 110.171 179.966 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.194 0.521 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.44 -37.04 79.68 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 110.35 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -65.26 -47.49 76.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.332 -0.855 . . . . 0.0 110.04 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 4.5 mt-30 -67.33 -43.32 81.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -0.805 . . . . 0.0 109.941 179.802 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.03 -31.48 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.392 -0.817 . . . . 0.0 109.939 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.62 -41.82 75.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 0.0 109.958 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -59.36 -52.28 66.33 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.332 -0.855 . . . . 0.0 109.766 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.438 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 22.9 m-85 -60.13 -30.13 69.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.423 -0.798 . . . . 0.0 109.415 179.374 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -60.84 -46.33 90.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.566 -0.709 . . . . 0.0 109.926 179.579 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.07 -44.25 96.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.454 -0.779 . . . . 0.0 110.153 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.86 -35.73 72.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.359 -0.838 . . . . 0.0 110.197 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -71.03 -48.47 52.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.393 -0.817 . . . . 0.0 110.098 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.7 67.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.386 -0.821 . . . . 0.0 110.178 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mt -64.17 -37.01 85.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.34 -0.85 . . . . 0.0 110.225 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CZ ' HG21 ' A' ' 34' ' ' THR . 85.2 m-85 -105.14 26.48 9.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.357 -0.84 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 179.94 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.443 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -146.49 129.35 16.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -1.063 . . . . 0.0 110.316 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 pt -121.32 155.35 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.367 -0.833 . . . . 0.0 110.175 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.42 158.72 24.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -29.35 70.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.313 -0.867 . . . . 0.0 110.15 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 t -59.79 -28.88 67.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.437 -0.789 . . . . 0.0 110.183 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -97.47 -12.62 22.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.367 -0.833 . . . . 0.0 110.375 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.5 tp -57.03 -52.74 64.07 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.237 -0.914 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.4 -36.28 71.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.354 -0.841 . . . . 0.0 110.208 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.414 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 79.3 m -69.86 -37.23 76.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.403 -0.811 . . . . 0.0 109.892 179.821 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.7 t -61.58 -36.79 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.391 -0.818 . . . . 0.0 109.942 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 mtt -71.38 -38.21 71.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.016 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -66.19 -34.81 78.88 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.405 -0.81 . . . . 0.0 110.211 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.01 -33.59 39.13 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.147 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.45 -22.69 67.04 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.319 -0.863 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.48 31.62 1.63 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 mt -122.57 -177.74 3.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -1.093 . . . . 0.0 110.185 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.4 t -168.76 70.05 0.75 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.842 . . . . 0.0 110.17 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.0 137.67 26.98 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.765 1.402 . . . . 0.0 110.378 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 171.7 1.71 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.159 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.25 -28.3 67.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.292 -0.88 . . . . 0.0 110.116 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.42 73.21 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 110.09 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.45 -31.08 70.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.39 -0.819 . . . . 0.0 109.993 179.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.9 t -74.31 -44.47 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.829 . . . . 0.0 109.898 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.67 -35.21 79.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.361 -0.837 . . . . 0.0 109.945 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.01 -47.5 74.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.391 -0.818 . . . . 0.0 110.0 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.82 -37.49 84.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.838 . . . . 0.0 110.025 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.4 mtt -70.75 -31.87 68.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.875 . . . . 0.0 110.043 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -67.59 -38.69 84.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.378 -0.826 . . . . 0.0 110.079 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -76.55 -29.03 56.51 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.455 -0.778 . . . . 0.0 110.071 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mt -90.34 -62.32 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.361 -0.837 . . . . 0.0 109.992 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.332 -0.855 . . . . 0.0 110.399 -179.883 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.225 0.536 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.92 132.59 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.298 -0.876 . . . . 0.0 110.108 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -90.89 160.16 15.84 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.344 -0.848 . . . . 0.0 110.071 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CZ ' ' HD3' ' A' ' 13' ' ' LYS . 27.5 t80 -58.35 -33.32 69.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.212 -0.93 . . . . 0.0 110.203 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 p -65.65 -55.22 18.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.411 -0.806 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -62.62 -36.12 81.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.348 -0.845 . . . . 0.0 110.09 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.404 ' CE2' ' HG3' ' A' ' 72' ' ' MET . 90.5 t80 -63.97 -45.26 89.88 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.386 -0.821 . . . . 0.0 110.027 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.415 HD13 ' CE2' ' A' ' 65' ' ' PHE . 38.3 mt -58.49 -43.02 88.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.349 -0.844 . . . . 0.0 110.137 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.47 -49.08 75.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.3 -0.875 . . . . 0.0 110.048 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.48 -39.51 91.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.385 -0.822 . . . . 0.0 110.081 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.438 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 86.4 mmm -62.66 -41.43 99.06 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.317 -0.865 . . . . 0.0 110.082 179.891 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.192 0.52 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -60.85 -37.17 81.19 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.327 -0.858 . . . . 0.0 110.099 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.78 -33.4 75.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.375 -0.828 . . . . 0.0 110.056 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.64 -43.26 80.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.381 -0.824 . . . . 0.0 110.126 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.9 -38.03 89.32 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.356 -0.84 . . . . 0.0 110.087 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.22 -45.74 83.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.42 -0.8 . . . . 0.0 110.157 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.42 -46.23 84.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.394 -0.817 . . . . 0.0 110.113 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.419 ' CD1' ' CG2' ' A' ' 137' ' ' ILE . 5.4 m-85 -60.95 -31.83 71.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.376 -0.827 . . . . 0.0 110.057 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -71.48 -39.13 71.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 110.066 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.92 -40.25 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.792 . . . . 0.0 109.957 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -70.14 -27.23 64.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.373 -0.83 . . . . 0.0 110.241 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -72.5 -156.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.33 -0.856 . . . . 0.0 110.23 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -110.84 -73.51 0.68 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 110.227 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -113.15 -50.65 2.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.86 . . . . 0.0 110.215 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.88 42.41 0.02 OUTLIER Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 32.1 p-10 -94.42 -23.99 17.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.364 -1.08 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.61 51.47 6.5 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.5 mt -146.52 93.73 2.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.384 -1.068 . . . . 0.0 110.195 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.0 pt -114.32 160.44 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.383 -0.823 . . . . 0.0 110.229 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.0 m -79.7 160.24 26.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.391 -0.818 . . . . 0.0 110.239 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.36 63.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.325 -0.86 . . . . 0.0 110.487 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.68 -58.5 7.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.315 -0.866 . . . . 0.0 110.089 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -59.47 -28.95 67.47 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.398 -0.814 . . . . 0.0 110.05 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.426 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 2.3 tp -68.7 -43.21 76.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.435 -0.791 . . . . 0.0 110.138 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -65.47 -39.68 92.28 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.367 -0.833 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -64.35 -38.97 92.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 110.241 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.3 t -62.55 -44.14 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.381 -0.825 . . . . 0.0 110.101 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.56 -36.24 80.07 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.422 -0.798 . . . . 0.0 110.169 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.4 m -79.97 -37.46 34.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.351 -0.843 . . . . 0.0 110.186 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -63.18 -42.61 99.4 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.383 -0.823 . . . . 0.0 110.176 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 70.2 mt -61.91 -29.44 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.444 -0.785 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.16 28.3 20.8 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.22 147.0 40.71 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.428 -1.043 . . . . 0.0 110.091 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -82.07 58.47 3.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.357 -0.839 . . . . 0.0 110.237 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.5 mt -123.31 104.76 9.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.343 -0.848 . . . . 0.0 110.191 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.8 p -67.47 -176.56 0.61 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.323 -0.861 . . . . 0.0 110.224 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -67.65 -27.57 66.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.382 -0.824 . . . . 0.0 110.212 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.12 83.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.323 -0.861 . . . . 0.0 110.131 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.67 -47.75 82.31 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 110.142 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.4 t -61.02 -32.36 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.303 -0.873 . . . . 0.0 109.983 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.18 -47.38 80.06 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.379 -0.826 . . . . 0.0 110.015 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -31.65 72.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.067 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.452 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 14.9 ttp -80.09 -29.55 39.09 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.425 -0.797 . . . . 0.0 110.123 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.42 -40.15 85.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.848 . . . . 0.0 110.136 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -68.08 -30.78 70.05 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.383 -0.823 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -26.48 39.44 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.329 -0.857 . . . . 0.0 110.389 -179.843 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 65.5 t -96.9 -37.56 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 110.209 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.8 p -60.91 119.04 7.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.324 -0.86 . . . . 0.0 110.27 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -167.28 33.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.36 -0.837 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.49 -77.05 0.14 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -158.35 -63.62 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -1.096 . . . . 0.0 110.134 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.07 29.98 0.59 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -143.59 156.07 44.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -1.068 . . . . 0.0 110.225 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.452 HG22 HD11 ' A' ' 135' ' ' ILE . 82.5 mt -133.64 148.89 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 110.164 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -92.6 140.46 29.52 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.398 -0.813 . . . . 0.0 110.208 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.419 ' CG2' ' CD1' ' A' ' 89' ' ' PHE . 3.0 pt -72.21 -16.32 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.375 -0.828 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -56.68 19.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.225 -0.922 . . . . 0.0 110.382 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -63.46 -44.89 93.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.346 -0.846 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.452 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -64.11 -46.9 82.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.363 -0.836 . . . . 0.0 110.23 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.24 -28.53 69.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.281 -0.887 . . . . 0.0 110.274 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.25 -32.29 58.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.385 -0.822 . . . . 0.0 110.249 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.3 mt -74.71 -38.3 62.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 0.0 110.243 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.5 mt -69.45 -27.25 65.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.315 -0.865 . . . . 0.0 110.21 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.327 -0.858 . . . . 0.0 110.155 179.987 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.145 0.498 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -63.42 -33.55 75.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.235 -0.916 . . . . 0.0 110.142 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -66.9 -47.67 71.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.334 -0.854 . . . . 0.0 109.967 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -67.86 -43.96 78.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.808 . . . . 0.0 109.89 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -67.75 -30.19 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.348 -0.845 . . . . 0.0 109.803 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.79 -34.96 76.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.358 -0.838 . . . . 0.0 109.788 179.583 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -67.74 -49.46 62.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.47 -0.769 . . . . 0.0 109.895 179.675 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 25.6 m-85 -60.5 -39.68 88.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.303 -0.873 . . . . 0.0 109.898 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -58.91 -41.44 87.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.404 -0.81 . . . . 0.0 110.245 179.742 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.16 -57.05 14.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.459 -0.776 . . . . 0.0 110.099 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.24 -23.62 67.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' CZ ' HG12 ' A' ' 27' ' ' ILE . 8.9 t80 -80.17 -38.86 30.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.147 -0.97 . . . . 0.0 110.088 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -24.8 63.47 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.384 -0.822 . . . . 0.0 110.286 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -72.31 -26.22 61.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 34' ' ' THR . 66.3 m-85 -117.16 24.04 11.44 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.295 -0.878 . . . . 0.0 110.392 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.225 -0.922 . . . . 0.0 110.339 -179.982 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.3 p -126.4 156.13 41.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.391 -1.064 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.407 HG12 ' CZ ' ' A' ' 16' ' ' PHE . 42.4 pt -118.88 160.12 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.34 -0.85 . . . . 0.0 110.273 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.58 158.04 23.24 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.332 -0.855 . . . . 0.0 110.075 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -28.91 70.01 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.4 -0.813 . . . . 0.0 110.218 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -62.31 -36.39 82.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.348 -0.845 . . . . 0.0 110.236 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -85.21 -10.98 55.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.361 -0.837 . . . . 0.0 110.459 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.2 tp -57.85 -49.53 76.36 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.19 -0.944 . . . . 0.0 110.477 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.13 88.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.268 -0.895 . . . . 0.0 110.331 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.418 HG21 ' CE2' ' A' ' 19' ' ' PHE . 57.3 m -68.0 -41.25 82.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.306 -0.871 . . . . 0.0 110.124 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.83 -32.63 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.419 -0.8 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.8 mtt -74.17 -33.81 63.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.86 . . . . 0.0 109.967 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -66.78 -34.52 78.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.429 -0.794 . . . . 0.0 110.174 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -29.28 38.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.376 -0.828 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.3 mt -73.37 -23.88 60.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.323 -0.861 . . . . 0.0 110.244 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.15 35.07 0.9 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.1 mt -124.28 164.56 19.32 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.304 -1.115 . . . . 0.0 110.062 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 t -160.13 66.98 2.69 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 0.0 110.2 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.75 137.3 24.55 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.673 1.354 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.07 175.12 0.74 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.394 -0.817 . . . . 0.0 110.084 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.82 -28.3 68.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 110.19 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.51 -42.0 71.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.309 -0.869 . . . . 0.0 110.053 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.13 -40.94 95.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.408 -0.808 . . . . 0.0 110.112 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.6 t -63.1 -40.71 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.432 -0.793 . . . . 0.0 109.942 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -41.73 97.59 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.367 -0.833 . . . . 0.0 110.068 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.34 -48.13 82.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 110.093 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.4 -44.27 96.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.437 -0.789 . . . . 0.0 110.112 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 mtt -66.84 -28.81 68.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.342 -0.849 . . . . 0.0 109.921 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -67.15 -38.87 86.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.411 -0.806 . . . . 0.0 110.006 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -74.15 -30.91 62.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.347 -0.846 . . . . 0.0 109.996 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.6 mt -85.53 -60.74 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.428 -0.795 . . . . 0.0 109.92 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.391 -0.818 . . . . 0.0 110.188 -179.929 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.158 0.504 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.0 mt -80.09 121.2 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.16 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.06 160.27 18.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.37 -0.831 . . . . 0.0 109.999 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CE2' HD12 ' A' ' 69' ' ' LEU . 16.9 t80 -56.58 -27.26 57.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.303 -0.873 . . . . 0.0 110.383 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.8 t -69.6 -54.97 11.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.345 -0.847 . . . . 0.0 110.009 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.98 -29.41 70.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.823 . . . . 0.0 110.055 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.46 -48.64 66.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.317 -0.865 . . . . 0.0 110.058 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD12 ' CE2' ' A' ' 65' ' ' PHE . 38.9 mt -58.77 -42.54 89.17 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.299 -0.875 . . . . 0.0 109.992 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.14 -47.08 75.24 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.467 -0.77 . . . . 0.0 109.855 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.6 mt -62.36 -35.21 78.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.398 -0.814 . . . . 0.0 109.909 179.703 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.426 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 86.1 mmm -68.81 -37.4 79.21 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.396 -0.815 . . . . 0.0 109.873 179.675 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.452 -0.78 . . . . 0.0 109.99 179.881 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.221 0.534 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -58.63 -36.71 74.49 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.37 -0.831 . . . . 0.0 110.217 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.87 -29.84 70.98 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.292 -0.88 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.83 -48.12 33.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.381 -0.825 . . . . 0.0 110.028 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.2 -27.02 69.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.831 . . . . 0.0 110.076 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.31 -48.49 22.92 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.427 -0.796 . . . . 0.0 110.235 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.16 78.76 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.346 -0.846 . . . . 0.0 110.193 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.41 ' CD1' HG21 ' A' ' 137' ' ' ILE . 20.3 m-85 -62.28 -35.13 78.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.269 -0.895 . . . . 0.0 110.16 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -63.01 -33.97 76.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.343 -0.848 . . . . 0.0 110.268 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.38 -27.66 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.353 -0.842 . . . . 0.0 110.405 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CE2' ' CG2' ' A' ' 108' ' ' VAL . 6.8 m-85 -80.03 -10.39 59.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.267 -0.896 . . . . 0.0 111.086 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -60.02 -164.91 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.067 -1.02 . . . . 0.0 110.27 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -129.41 -59.49 1.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.316 -0.865 . . . . 0.0 110.241 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.91 -74.24 0.61 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.358 -0.839 . . . . 0.0 110.203 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.07 -49.41 0.02 OUTLIER Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.96 129.97 43.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -1.079 . . . . 0.0 110.211 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.27 88.9 0.06 OUTLIER Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.1 mt -136.74 103.43 5.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.41 -1.053 . . . . 0.0 110.201 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.8 pt -119.76 158.75 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.381 -0.824 . . . . 0.0 110.24 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.8 t -80.02 160.19 25.94 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.413 -0.805 . . . . 0.0 110.156 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.32 -30.26 50.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.365 -0.834 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.84 -54.08 26.03 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.835 . . . . 0.0 110.047 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.02 -32.37 72.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.347 -0.846 . . . . 0.0 109.925 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.31 -42.82 74.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.382 -0.824 . . . . 0.0 109.988 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -62.44 -41.18 98.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.393 -0.817 . . . . 0.0 110.097 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -66.22 -32.99 74.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.406 -0.809 . . . . 0.0 110.097 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.451 ' CG2' ' CE2' ' A' ' 92' ' ' PHE . 59.6 t -79.97 -40.85 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.466 -0.771 . . . . 0.0 110.077 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -31.29 72.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.258 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.3 m -80.17 -37.79 32.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 110.352 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.8 t -61.07 -35.34 76.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.322 -0.861 . . . . 0.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.64 -28.25 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.304 -0.873 . . . . 0.0 110.039 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.55 37.07 58.41 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.66 176.08 0.71 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.436 -1.038 . . . . 0.0 110.167 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.25 52.28 2.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.367 -0.833 . . . . 0.0 110.096 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.3 mt -135.54 131.5 36.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.227 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.8 p -84.96 -167.86 1.99 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.358 -0.839 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -74.36 -34.9 63.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -0.796 . . . . 0.0 110.257 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.35 86.94 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.349 -0.844 . . . . 0.0 110.205 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.56 -50.68 62.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -60.12 -27.23 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.347 -0.846 . . . . 0.0 110.165 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.92 -48.4 63.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.2 -27.0 68.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.458 -0.776 . . . . 0.0 110.17 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.1 ttp -78.65 -28.1 45.38 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.83 . . . . 0.0 110.268 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.73 -38.2 62.35 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.331 -0.856 . . . . 0.0 110.172 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -65.39 -34.3 77.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.385 -0.822 . . . . 0.0 110.252 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.1 -39.41 29.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.353 -0.842 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 60.4 t -80.58 -51.38 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.379 -0.825 . . . . 0.0 110.148 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.3 t -70.25 115.23 9.2 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.308 -0.87 . . . . 0.0 110.188 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -108.64 28.5 8.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.405 -0.809 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.19 56.97 3.3 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 t -126.42 -44.68 1.69 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.337 -1.096 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 127.88 -63.98 0.6 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.56 155.75 16.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.292 -1.122 . . . . 0.0 110.177 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 87.7 mt -126.06 146.05 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 0.0 110.162 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -80.12 126.72 31.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.433 -0.792 . . . . 0.0 110.162 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.41 HG21 ' CD1' ' A' ' 89' ' ' PHE . 3.5 pt -68.5 -18.01 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.43 -0.794 . . . . 0.0 110.499 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -69.21 -43.42 74.14 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.241 -0.912 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -68.7 -43.55 75.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.41 -0.806 . . . . 0.0 110.243 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -42.56 96.29 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.279 -0.888 . . . . 0.0 110.134 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.56 80.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 110.223 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.45 69.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.44 -0.788 . . . . 0.0 110.156 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.23 -30.59 67.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.383 -0.823 . . . . 0.0 110.113 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.92 -18.32 50.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.446 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.244 -0.91 . . . . 0.0 110.317 -179.88 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.151 0.5 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.19 -34.33 72.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.392 -0.817 . . . . 0.0 110.285 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.32 -50.02 67.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.404 -0.81 . . . . 0.0 110.102 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 6.5 mt-30 -64.25 -41.46 96.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -0.809 . . . . 0.0 110.131 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.46 -32.39 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.274 -0.891 . . . . 0.0 109.953 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.1 -35.63 76.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.347 -0.846 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.18 -49.72 63.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.277 -0.889 . . . . 0.0 110.136 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 23.3 m-85 -61.72 -34.39 75.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.096 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -63.64 -41.94 98.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.311 -0.868 . . . . 0.0 110.066 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.97 -48.31 80.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.408 -0.808 . . . . 0.0 110.142 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.48 -35.71 80.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.361 -0.837 . . . . 0.0 110.197 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -67.44 -50.22 60.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.385 -0.822 . . . . 0.0 110.223 179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.97 68.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.377 -0.827 . . . . 0.0 110.241 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.0 -36.24 80.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.399 -0.813 . . . . 0.0 110.168 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' CZ ' HG22 ' A' ' 34' ' ' THR . 85.5 m-85 -106.81 27.09 9.26 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.376 -0.828 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.407 -0.808 . . . . 0.0 110.133 179.99 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.1 p -146.7 136.99 23.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -1.115 . . . . 0.0 110.164 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 pt -120.88 159.63 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.81 160.03 21.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -63.4 -28.74 70.19 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.341 -0.849 . . . . 0.0 110.229 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -61.72 -28.66 69.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.301 -0.875 . . . . 0.0 110.243 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -95.89 -12.14 25.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.385 -0.822 . . . . 0.0 110.531 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -56.09 -55.49 32.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.245 -0.909 . . . . 0.0 110.347 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.16 70.68 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.289 -0.882 . . . . 0.0 110.189 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.405 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 65.5 m -70.59 -38.78 74.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.424 -0.797 . . . . 0.0 110.061 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.3 t -62.09 -36.16 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.41 -0.806 . . . . 0.0 109.885 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.3 mtt -72.44 -34.84 68.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.443 -0.786 . . . . 0.0 109.933 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -66.42 -33.55 75.97 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.429 -0.795 . . . . 0.0 110.15 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 m -79.15 -31.33 43.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.818 . . . . 0.0 110.19 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mt -68.33 -21.13 64.76 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.331 -0.855 . . . . 0.0 110.362 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.89 31.91 1.66 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.7 mt -122.32 176.77 5.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.37 -1.077 . . . . 0.0 110.19 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -168.77 69.9 0.74 Allowed Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.113 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.72 138.48 29.15 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.744 1.391 . . . . 0.0 110.365 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.39 167.87 0.89 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.288 -0.883 . . . . 0.0 110.139 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.23 -29.69 67.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.406 -0.809 . . . . 0.0 110.098 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.52 -41.73 72.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -0.831 . . . . 0.0 110.01 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.02 -40.68 96.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.443 -0.786 . . . . 0.0 109.962 179.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.2 -49.19 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.398 -0.814 . . . . 0.0 109.936 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.24 -46.1 65.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.327 -0.858 . . . . 0.0 110.428 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -56.7 -47.07 80.72 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.237 -0.915 . . . . 0.0 109.941 179.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.6 mt -65.52 -51.81 57.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.464 -0.772 . . . . 0.0 109.845 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.33 -25.96 68.55 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.359 -0.838 . . . . 0.0 110.159 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -68.98 -39.25 79.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.352 -0.842 . . . . 0.0 109.839 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -75.25 -31.85 60.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.475 -0.766 . . . . 0.0 109.728 179.64 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.9 mt -84.23 -62.63 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.493 -0.754 . . . . 0.0 109.857 179.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.431 -0.793 . . . . 0.0 110.272 -179.964 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.104 0.478 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.91 136.26 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.379 -0.826 . . . . 0.0 110.295 -179.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -97.94 160.22 14.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.441 -0.787 . . . . 0.0 109.917 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CE2' HD13 ' A' ' 69' ' ' LEU . 16.9 t80 -57.14 -27.12 61.57 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.85 . . . . 0.0 110.412 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.8 m -68.8 -61.22 1.9 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.265 -0.897 . . . . 0.0 110.113 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.65 -28.79 70.16 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -0.796 . . . . 0.0 110.07 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -67.44 -47.3 70.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 110.076 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.427 HD13 ' CE2' ' A' ' 65' ' ' PHE . 34.6 mt -60.95 -38.34 85.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.342 -0.848 . . . . 0.0 110.081 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.72 96.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.345 -0.847 . . . . 0.0 110.18 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.1 mt -63.76 -46.72 84.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 0.0 110.084 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.4 mtp -64.45 -38.82 92.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.386 -0.821 . . . . 0.0 110.023 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.351 -0.843 . . . . 0.0 110.201 179.9 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.219 0.533 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -55.46 -41.35 72.78 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.35 -0.844 . . . . 0.0 110.364 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.54 -34.3 77.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.015 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.414 HD23 ' CE2' ' A' ' 89' ' ' PHE . 10.1 mt -67.41 -48.93 65.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.389 -0.819 . . . . 0.0 109.919 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.09 -40.04 94.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.436 -0.79 . . . . 0.0 109.872 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -43.86 53.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.463 -0.773 . . . . 0.0 110.005 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.4 90.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.472 -0.767 . . . . 0.0 110.295 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CD1' HG22 ' A' ' 137' ' ' ILE . 9.8 m-85 -63.02 -38.8 92.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.381 -0.825 . . . . 0.0 110.183 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -38.8 83.8 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.295 -0.878 . . . . 0.0 110.307 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.7 t -72.13 -37.93 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.293 -0.879 . . . . 0.0 110.02 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.2 m-85 -73.99 -30.78 62.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.165 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 95' ' ' ASN . 6.6 t70 -68.15 -23.27 64.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.342 -0.849 . . . . 0.0 110.231 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.54 -72.62 0.06 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.54 -0.725 . . . . 0.0 110.436 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -57.74 -53.91 52.8 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.234 -0.916 . . . . 0.0 110.308 -179.912 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.57 33.71 2.41 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.2 -39.66 9.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.401 -1.058 . . . . 0.0 110.187 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.17 33.12 2.41 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt -140.48 122.13 15.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.354 -1.086 . . . . 0.0 110.217 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 pt -143.29 160.7 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.443 -0.785 . . . . 0.0 110.172 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 m -79.2 160.12 27.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.377 -0.827 . . . . 0.0 110.288 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.23 -30.21 49.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.396 -0.815 . . . . 0.0 110.506 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.73 -57.46 11.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.267 -0.896 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.39 -32.37 72.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.416 -0.803 . . . . 0.0 109.944 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.421 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 0.7 OUTLIER -68.6 -41.43 79.61 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.482 -0.761 . . . . 0.0 110.042 179.882 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -41.17 97.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.329 -0.857 . . . . 0.0 110.082 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -64.73 -33.87 76.99 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.404 -0.81 . . . . 0.0 110.072 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.449 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 63.4 t -70.61 -43.99 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 0.0 110.056 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.51 -30.65 71.43 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.407 -0.808 . . . . 0.0 110.19 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.3 m -78.84 -32.18 46.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.435 -0.791 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.38 -37.77 71.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.306 -0.871 . . . . 0.0 110.184 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.83 -26.68 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.415 -0.803 . . . . 0.0 110.03 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.48 28.97 50.86 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.78 157.79 23.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.386 -1.067 . . . . 0.0 110.177 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.69 58.75 5.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.232 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.4 mt -133.45 139.38 46.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.375 -0.828 . . . . 0.0 110.178 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.5 p -101.85 -178.24 3.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.355 -0.84 . . . . 0.0 110.223 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.31 -31.77 72.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.353 -0.842 . . . . 0.0 110.157 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.24 82.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.353 -0.842 . . . . 0.0 110.198 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.63 -47.69 82.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.315 -0.866 . . . . 0.0 110.087 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.57 -29.14 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.36 -0.838 . . . . 0.0 109.991 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.5 -47.77 71.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.376 -0.828 . . . . 0.0 109.995 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.27 -28.76 69.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.403 -0.81 . . . . 0.0 110.013 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.402 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -79.47 -36.71 38.32 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.324 -0.86 . . . . 0.0 110.097 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.65 -39.5 94.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.368 -0.833 . . . . 0.0 110.227 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -61.8 -38.6 88.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.279 -0.888 . . . . 0.0 110.305 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -80.19 -36.68 34.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.334 -0.853 . . . . 0.0 110.522 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.407 ' CG1' ' CG2' ' A' ' 135' ' ' ILE . 59.7 t -80.88 -25.98 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.358 -0.839 . . . . 0.0 110.406 -179.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.1 t -59.72 100.38 0.08 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.284 -0.885 . . . . 0.0 110.271 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -113.57 -28.94 7.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.84 -98.39 2.37 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.6 m -158.35 -59.7 0.08 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.447 -1.031 . . . . 0.0 110.177 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -126.04 29.91 4.49 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -145.4 138.09 26.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -1.043 . . . . 0.0 110.172 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.439 HD12 HG22 ' A' ' 135' ' ' ILE . 87.4 mt -134.71 145.89 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.386 -0.821 . . . . 0.0 110.107 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -80.72 129.96 34.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -0.792 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.418 HG22 ' CD1' ' A' ' 89' ' ' PHE . 11.7 pt -66.66 -20.53 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.326 -0.859 . . . . 0.0 110.492 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -70.7 -36.22 73.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.223 -0.923 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -68.33 -49.73 58.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.332 -0.855 . . . . 0.0 110.224 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.421 ' CZ ' HD23 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -65.22 -36.2 83.42 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.352 -0.842 . . . . 0.0 110.117 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.46 71.42 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.357 -0.84 . . . . 0.0 110.242 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.0 -34.7 38.26 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.829 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.5 mt -64.61 -42.39 95.57 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.381 -0.824 . . . . 0.0 110.278 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.0 mt -70.2 -48.77 55.66 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.285 -0.884 . . . . 0.0 110.145 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.44 -0.787 . . . . 0.0 110.126 179.999 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.133 0.492 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.98 -29.1 70.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.415 -0.803 . . . . 0.0 110.12 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -70.01 -46.54 64.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.396 -0.815 . . . . 0.0 110.057 179.829 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -66.78 -42.41 86.09 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.379 -0.825 . . . . 0.0 110.01 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.7 mt -67.96 -34.65 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.319 -0.863 . . . . 0.0 109.841 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.04 -31.7 72.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.375 -0.828 . . . . 0.0 109.84 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.01 -48.91 56.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 109.989 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -62.5 -36.84 83.8 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.373 -0.829 . . . . 0.0 110.016 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -62.99 -40.28 97.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.444 -0.785 . . . . 0.0 110.195 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.39 -52.71 62.52 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.335 -0.853 . . . . 0.0 110.18 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.98 86.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.353 -0.842 . . . . 0.0 110.204 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -67.25 -46.45 73.66 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.299 -0.876 . . . . 0.0 110.098 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -27.84 69.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.374 -0.828 . . . . 0.0 110.145 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.76 -34.04 76.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.29 -0.881 . . . . 0.0 110.144 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.427 ' CZ ' HG21 ' A' ' 34' ' ' THR . 91.4 m-85 -108.77 27.85 9.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.391 -0.818 . . . . 0.0 110.21 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.434 -0.791 . . . . 0.0 110.03 179.95 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 p -148.0 139.92 24.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.38 -1.071 . . . . 0.0 110.158 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 pt -122.33 159.28 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.395 -0.815 . . . . 0.0 110.234 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -84.25 160.08 20.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 0.0 110.263 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -38.77 88.09 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.405 -0.81 . . . . 0.0 110.265 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -57.19 -28.84 63.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.342 -0.849 . . . . 0.0 110.337 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -91.47 -17.12 26.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 110.401 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.7 tp -56.45 -48.56 76.8 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.284 -0.885 . . . . 0.0 110.422 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.31 -38.63 84.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.896 . . . . 0.0 110.155 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.427 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 46.7 m -68.26 -37.17 80.45 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.019 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.1 t -61.49 -37.96 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.407 -0.808 . . . . 0.0 109.977 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.8 mtt -69.9 -38.34 76.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.368 -0.832 . . . . 0.0 110.012 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -64.47 -35.19 80.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.373 -0.83 . . . . 0.0 110.181 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -78.95 -34.19 44.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.375 -0.828 . . . . 0.0 110.204 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.35 -22.16 66.86 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.393 -0.817 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.42 30.66 1.83 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.9 mt -121.68 179.53 4.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.287 -1.125 . . . . 0.0 110.176 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.73 68.81 0.87 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.359 -0.838 . . . . 0.0 110.214 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.6 137.84 25.77 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.655 1.345 . . . . 0.0 110.344 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 169.44 2.3 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.399 -0.813 . . . . 0.0 110.114 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.78 -27.91 65.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.334 -0.854 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.81 -41.75 71.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 110.122 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.26 -36.05 81.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.413 -0.804 . . . . 0.0 110.144 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.34 -41.41 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.324 -0.86 . . . . 0.0 110.013 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -40.45 93.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.345 -0.847 . . . . 0.0 110.057 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.07 -50.42 72.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.367 -0.833 . . . . 0.0 110.018 179.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.82 -42.78 99.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.322 -0.861 . . . . 0.0 109.931 179.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 mtt -68.21 -29.17 67.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.859 . . . . 0.0 109.832 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -66.05 -38.93 89.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.439 -0.788 . . . . 0.0 109.891 179.723 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -72.57 -34.6 67.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.399 -0.813 . . . . 0.0 109.958 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.0 mt -83.9 -61.39 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.443 -0.786 . . . . 0.0 109.995 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 110.04 179.973 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.106 0.479 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.0 mt -87.7 127.7 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 110.242 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.73 160.07 16.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.461 -0.774 . . . . 0.0 110.041 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.41 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 22.2 t80 -56.66 -36.5 69.63 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.257 -0.902 . . . . 0.0 110.361 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.0 m -62.97 -54.67 34.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.393 -0.817 . . . . 0.0 110.119 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.62 -28.53 69.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.416 -0.802 . . . . 0.0 110.237 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -69.87 -47.95 60.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.481 -0.762 . . . . 0.0 110.24 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.5 mt -60.45 -35.74 76.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.356 -0.84 . . . . 0.0 110.11 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.2 -48.11 62.98 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.426 -0.796 . . . . 0.0 110.196 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.04 -42.76 99.09 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.381 -0.824 . . . . 0.0 110.201 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.5 mmm -63.44 -38.51 91.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.392 -0.817 . . . . 0.0 110.167 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.347 -0.846 . . . . 0.0 110.203 179.954 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.152 0.501 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -72.74 -20.77 61.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.33 -0.856 . . . . 0.0 110.324 179.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -49.6 12.69 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.204 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.75 -39.8 74.65 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.937 -178.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.69 -43.84 83.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.577 -0.702 . . . . 0.0 109.707 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -58.42 -41.25 84.57 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.441 -0.787 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.0 64.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.29 -0.881 . . . . 0.0 109.993 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CD1' HG21 ' A' ' 137' ' ' ILE . 4.7 m-85 -60.73 -27.35 67.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.139 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -38.05 59.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.013 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.0 t -62.39 -46.06 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.302 -0.874 . . . . 0.0 110.062 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.414 ' CD1' HG22 ' A' ' 108' ' ' VAL . 13.4 m-85 -63.08 -34.1 76.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 95' ' ' ASN . 27.2 t0 -81.93 -10.03 59.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.354 -0.841 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.72 -76.01 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.33 -0.856 . . . . 0.0 110.452 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' ASP . 19.0 m120 -154.77 31.2 0.41 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.102 -0.999 . . . . 0.0 110.255 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -91.31 42.88 2.81 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.854 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.92 -75.09 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.462 -1.023 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' GLY . . . -173.22 52.88 0.16 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.1 mt -137.07 136.24 38.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.435 -1.038 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.9 pt -147.47 160.4 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.392 -0.818 . . . . 0.0 110.215 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.54 160.2 26.58 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.335 -0.853 . . . . 0.0 110.229 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.57 41.1 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.329 -0.857 . . . . 0.0 110.556 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.37 -55.0 36.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.306 -0.871 . . . . 0.0 110.118 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.58 -29.15 70.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.285 -0.884 . . . . 0.0 109.967 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tp -70.37 -39.02 74.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.367 -0.833 . . . . 0.0 110.098 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -69.72 -36.72 76.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.326 -0.859 . . . . 0.0 110.218 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -68.51 -35.47 77.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.217 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.414 HG22 ' CD1' ' A' ' 92' ' ' PHE . 90.1 t -69.66 -43.66 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.448 -0.782 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.48 -34.62 77.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.882 . . . . 0.0 110.054 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.7 m -79.99 -31.3 39.79 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.339 -0.851 . . . . 0.0 110.102 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.0 t -71.99 -42.55 66.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.344 -0.847 . . . . 0.0 110.158 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.46 -27.77 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.333 -0.855 . . . . 0.0 109.994 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.95 28.89 27.4 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.0 148.33 46.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.265 -1.138 . . . . 0.0 110.095 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.62 61.94 6.56 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.357 -0.839 . . . . 0.0 110.325 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.7 mt -115.08 120.47 39.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.313 -0.867 . . . . 0.0 110.107 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.6 p -79.28 -175.97 4.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.338 -0.851 . . . . 0.0 110.251 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -31.95 68.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.93 99.41 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.422 -0.799 . . . . 0.0 110.129 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.2 -51.54 67.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.424 -0.798 . . . . 0.0 110.18 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.32 -27.97 43.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.338 -0.851 . . . . 0.0 110.07 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.62 -45.53 61.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.35 -0.844 . . . . 0.0 110.115 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -71.33 -34.57 70.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.357 -0.839 . . . . 0.0 110.161 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.5 mtp -74.85 -26.27 59.57 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.374 -0.829 . . . . 0.0 110.194 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -76.28 -39.11 55.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.276 -0.89 . . . . 0.0 110.194 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -33.38 74.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.367 -0.833 . . . . 0.0 110.146 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -80.06 -27.27 39.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.855 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 51.7 t -98.74 -60.9 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.307 -0.871 . . . . 0.0 110.158 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -61.56 116.79 5.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.429 -0.794 . . . . 0.0 110.202 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -145.69 28.37 1.17 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.358 -0.839 . . . . 0.0 110.229 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -148.1 -107.78 0.48 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.0 t -171.85 -35.81 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.342 -1.093 . . . . 0.0 110.328 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -55.37 -96.08 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.15 160.16 41.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -1.135 . . . . 0.0 110.437 -179.791 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 67.4 mt -94.79 145.29 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.369 -0.832 . . . . 0.0 110.107 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -80.7 132.82 35.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.418 HG21 ' CD1' ' A' ' 89' ' ' PHE . 4.5 pt -69.45 -17.93 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.425 -0.797 . . . . 0.0 110.507 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 -53.33 59.49 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.27 -0.894 . . . . 0.0 110.228 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -62.55 -48.86 77.64 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.422 -0.799 . . . . 0.0 110.172 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -50.95 69.44 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.299 -0.876 . . . . 0.0 110.004 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.86 -28.74 69.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.388 -0.82 . . . . 0.0 110.157 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.65 62.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.403 -0.81 . . . . 0.0 110.062 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.4 mt -69.0 -33.58 73.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -0.831 . . . . 0.0 110.07 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.07 -52.81 11.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.341 -0.849 . . . . 0.0 110.125 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 110.148 179.958 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.134 0.492 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -62.1 -36.46 81.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.318 -0.864 . . . . 0.0 110.192 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -69.2 -38.32 78.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.358 -0.839 . . . . 0.0 110.054 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 3.8 mm-40 -67.97 -43.76 78.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.335 -0.853 . . . . 0.0 110.012 179.817 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.24 -39.88 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.41 -0.806 . . . . 0.0 109.925 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.74 -36.24 80.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.305 -0.872 . . . . 0.0 109.901 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.09 -53.49 57.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.348 -0.845 . . . . 0.0 109.775 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.2 m-85 -60.27 -30.55 69.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.395 -0.816 . . . . 0.0 109.502 179.408 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -61.29 -43.36 99.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.582 -0.699 . . . . 0.0 109.974 179.618 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.17 -43.68 86.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.421 -0.799 . . . . 0.0 110.328 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.67 -28.15 60.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.292 -0.88 . . . . 0.0 110.419 -179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -80.12 -36.24 35.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.194 -0.941 . . . . 0.0 110.228 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.77 -25.46 53.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.434 -0.792 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.21 -26.66 63.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.361 -0.837 . . . . 0.0 110.325 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CE2' HG22 ' A' ' 34' ' ' THR . 56.9 m-85 -108.5 26.31 10.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.283 -0.885 . . . . 0.0 110.355 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 0.0 110.176 -179.948 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.0 p -138.55 130.2 27.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.326 -1.102 . . . . 0.0 110.143 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -111.95 158.57 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.401 -0.812 . . . . 0.0 110.249 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -89.15 160.24 17.1 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 110.325 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -37.25 76.79 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.473 -0.767 . . . . 0.0 110.429 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.82 -25.61 56.3 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.315 -0.866 . . . . 0.0 110.387 -179.778 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -98.72 -16.17 19.08 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.424 -0.797 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.4 tp -57.16 -52.67 64.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.221 -0.924 . . . . 0.0 110.396 -179.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.34 81.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.343 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.415 HG22 ' CE2' ' A' ' 19' ' ' PHE . 31.2 m -66.54 -39.03 88.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 179.895 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.51 -39.85 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.32 -0.863 . . . . 0.0 109.871 179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.8 mtt -67.43 -33.66 75.62 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.315 -0.866 . . . . 0.0 109.667 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -69.09 -29.67 67.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.47 -0.769 . . . . 0.0 109.977 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -77.88 -35.35 50.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.818 . . . . 0.0 110.208 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.26 -29.27 68.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.355 -0.841 . . . . 0.0 110.114 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.83 -5.65 4.05 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -80.98 172.56 13.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -1.185 . . . . 0.0 110.229 -179.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.8 t -167.3 61.53 0.58 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.438 -0.789 . . . . 0.0 110.054 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.63 137.49 25.14 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.723 1.38 . . . . 0.0 110.416 -179.847 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 m -64.28 174.29 1.69 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.364 -0.835 . . . . 0.0 109.999 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.23 -30.75 66.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.279 -0.888 . . . . 0.0 110.164 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.69 81.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.478 -0.764 . . . . 0.0 109.942 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.18 -41.91 94.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.397 -0.815 . . . . 0.0 109.686 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.55 -43.85 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.399 -0.813 . . . . 0.0 109.645 179.559 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -54.88 -45.57 74.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.874 . . . . 0.0 110.034 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.68 -48.51 77.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.333 -0.854 . . . . 0.0 109.662 179.484 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -63.02 -53.1 59.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.421 -0.799 . . . . 0.0 109.885 179.542 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -61.95 -26.99 68.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.353 -0.842 . . . . 0.0 110.15 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -67.64 -37.72 82.86 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.357 -0.839 . . . . 0.0 109.966 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -78.76 -30.01 45.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.356 -0.84 . . . . 0.0 109.983 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.1 mt -90.34 -64.17 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 0.0 110.012 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.343 -0.848 . . . . 0.0 110.392 -179.8 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.171 0.51 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.0 mt -90.82 141.51 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.417 -0.802 . . . . 0.0 110.148 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -100.2 160.05 14.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.431 -0.793 . . . . 0.0 110.09 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CZ ' ' HD3' ' A' ' 13' ' ' LYS . 23.9 t80 -58.33 -34.86 71.09 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.349 -0.844 . . . . 0.0 110.438 -179.83 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -62.38 -57.45 11.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.378 -0.826 . . . . 0.0 110.173 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.63 -31.34 72.17 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.423 -0.798 . . . . 0.0 110.08 179.842 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -65.66 -48.69 71.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.422 -0.799 . . . . 0.0 110.138 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.41 HD12 ' CE2' ' A' ' 65' ' ' PHE . 45.1 mt -59.44 -38.96 82.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.327 -0.858 . . . . 0.0 110.169 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.1 -46.9 82.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.35 -0.844 . . . . 0.0 109.988 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.34 -42.62 98.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.374 -0.829 . . . . 0.0 109.985 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.7 mmm -65.22 -38.61 90.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.456 -0.778 . . . . 0.0 110.073 179.818 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.434 -0.792 . . . . 0.0 110.182 179.991 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.236 0.541 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.39 -27.06 63.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.34 -0.85 . . . . 0.0 110.34 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -67.56 -43.29 81.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.362 -0.836 . . . . 0.0 110.036 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -47.05 78.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.351 -0.843 . . . . 0.0 110.062 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.65 -35.16 80.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 110.052 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -71.38 -43.81 66.17 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.429 -0.795 . . . . 0.0 110.107 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.05 98.59 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.272 -0.892 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -66.96 -31.98 72.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.123 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -66.52 -39.78 88.8 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.413 -0.804 . . . . 0.0 110.155 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.86 -34.13 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.876 . . . . 0.0 110.08 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CE2' HG22 ' A' ' 108' ' ' VAL . 7.5 m-85 -71.97 -30.31 65.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.339 -0.851 . . . . 0.0 110.182 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -93.91 164.3 13.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.458 -0.776 . . . . 0.0 110.236 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 96' ' ' GLY . 29.3 mmtt -97.16 169.51 9.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 110.227 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 55.74 -86.4 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.601 -0.687 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 155.91 50.37 0.01 OUTLIER Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.0 -53.66 3.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.343 -1.092 . . . . 0.0 110.235 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.27 38.68 1.0 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.4 mt -126.95 124.87 40.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.317 -1.107 . . . . 0.0 110.189 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.2 pt -145.49 160.13 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.352 -0.842 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.3 m -79.81 160.22 26.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.446 -0.783 . . . . 0.0 110.183 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.72 -27.54 28.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.293 -0.879 . . . . 0.0 110.489 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.09 -55.03 21.12 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.339 -0.851 . . . . 0.0 110.092 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -61.88 -33.12 73.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.36 -0.838 . . . . 0.0 110.082 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.413 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -67.39 -39.58 85.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.443 -0.786 . . . . 0.0 110.053 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -67.11 -39.89 86.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.458 -0.776 . . . . 0.0 110.195 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -67.75 -29.05 68.17 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.326 -0.859 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.417 HG22 ' CE2' ' A' ' 92' ' ' PHE . 77.2 t -78.92 -42.87 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.32 -0.862 . . . . 0.0 110.136 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -31.12 72.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.369 -0.832 . . . . 0.0 110.098 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.0 m -74.6 -43.08 57.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.319 -0.863 . . . . 0.0 110.205 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.1 t -61.95 -38.68 89.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.379 -0.826 . . . . 0.0 110.12 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.59 -26.56 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.305 -0.872 . . . . 0.0 110.094 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.57 33.44 55.98 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.98 179.75 0.26 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.417 -1.049 . . . . 0.0 110.082 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -110.02 62.41 0.6 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.417 -0.802 . . . . 0.0 110.222 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.406 ' CD1' ' CD2' ' A' ' 144' ' ' LEU . 76.6 mt -132.44 111.45 11.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.354 -0.841 . . . . 0.0 110.219 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.7 p -62.41 178.99 0.35 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.358 -0.839 . . . . 0.0 110.208 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.27 -37.88 88.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.315 -0.866 . . . . 0.0 110.187 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.75 -29.13 69.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 110.141 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.7 -50.0 34.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.32 -0.862 . . . . 0.0 110.124 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.5 t -62.21 -30.07 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.406 -0.809 . . . . 0.0 109.941 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.09 -45.41 73.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.321 -0.862 . . . . 0.0 110.049 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.35 -33.18 73.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.38 -0.825 . . . . 0.0 110.06 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.441 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 7.8 ttp -73.36 -28.85 62.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.441 -0.787 . . . . 0.0 110.066 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.05 -32.62 59.4 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.831 . . . . 0.0 110.07 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -68.07 -32.92 73.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.402 -0.811 . . . . 0.0 110.172 179.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -28.01 39.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.355 -0.84 . . . . 0.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.95 -25.79 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.7 t -61.67 88.18 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 110.337 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.54 -30.18 7.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.387 -0.821 . . . . 0.0 110.166 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.71 -95.84 0.54 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.8 m -159.79 -42.89 0.05 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.409 -1.053 . . . . 0.0 110.271 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.11 -45.19 0.04 OUTLIER Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -79.95 141.16 36.27 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.313 -1.11 . . . . 0.0 110.171 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 79.0 mt -130.08 159.88 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.361 -0.837 . . . . 0.0 110.145 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -88.16 128.15 35.44 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.442 -0.786 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 pt -67.97 -21.37 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.381 -0.825 . . . . 0.0 110.491 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -59.56 -53.68 55.26 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.291 -0.881 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -42.73 99.61 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.463 -0.773 . . . . 0.0 110.155 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.441 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -69.47 -33.7 73.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.39 -0.819 . . . . 0.0 110.077 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.86 -28.41 67.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.278 -0.889 . . . . 0.0 110.101 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.79 -35.33 38.71 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.389 -0.819 . . . . 0.0 110.125 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.36 -33.97 73.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.248 -0.908 . . . . 0.0 110.197 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.406 ' CD2' ' CD1' ' A' ' 116' ' ' LEU . 90.4 mt -79.65 -49.81 11.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.345 -0.847 . . . . 0.0 110.19 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 110.225 -179.996 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.133 0.492 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.03 -33.76 73.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.282 -0.886 . . . . 0.0 110.131 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.73 -49.26 69.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.334 -0.853 . . . . 0.0 110.0 179.887 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.9 mt-30 -64.4 -43.51 94.19 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.378 -0.826 . . . . 0.0 110.081 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.71 -30.95 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.835 . . . . 0.0 109.889 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.56 86.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.379 -0.825 . . . . 0.0 110.029 179.871 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.56 -48.12 80.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.369 -0.832 . . . . 0.0 110.1 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.9 m-85 -60.95 -36.86 80.47 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.269 -0.894 . . . . 0.0 110.029 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 4.5 ttmm -60.57 -40.83 93.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.461 -0.774 . . . . 0.0 110.174 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.89 -52.3 63.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.422 -0.799 . . . . 0.0 110.042 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.64 84.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.344 -0.847 . . . . 0.0 110.159 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CZ ' HG12 ' A' ' 27' ' ' ILE . 6.1 t80 -67.59 -46.2 73.29 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.364 -0.835 . . . . 0.0 110.116 179.934 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -29.77 70.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.336 -0.853 . . . . 0.0 110.138 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.38 -37.13 84.56 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.441 -0.787 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -103.69 26.04 9.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.308 -0.87 . . . . 0.0 110.21 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.2 t70 . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.395 -0.816 . . . . 0.0 110.23 -179.998 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 p -138.18 134.69 34.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -1.093 . . . . 0.0 110.294 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.422 HG12 ' CZ ' ' A' ' 16' ' ' PHE . 42.6 pt -120.15 159.88 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.424 -0.797 . . . . 0.0 110.177 179.891 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -82.64 155.79 24.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.331 -0.856 . . . . 0.0 110.171 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.02 -28.39 69.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.386 -0.821 . . . . 0.0 110.156 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.7 m -60.7 -34.42 74.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.326 -0.859 . . . . 0.0 110.157 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -91.45 -11.28 38.05 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.437 -0.79 . . . . 0.0 110.46 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.1 -48.86 77.59 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.156 -0.965 . . . . 0.0 110.367 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.68 88.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.311 -0.868 . . . . 0.0 110.118 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.8 m -66.51 -40.65 89.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.934 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.53 -40.02 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.294 -0.879 . . . . 0.0 109.712 179.606 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.2 mtt -71.09 -29.51 65.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.43 -0.794 . . . . 0.0 109.509 179.383 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -37.61 87.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.468 -0.77 . . . . 0.0 109.766 179.646 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -33.06 39.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.406 -0.809 . . . . 0.0 110.175 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.6 -23.39 67.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.343 -0.848 . . . . 0.0 110.306 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.37 31.14 1.73 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -122.4 177.24 5.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.317 -1.107 . . . . 0.0 110.075 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.1 p -167.92 66.28 0.75 Allowed Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.36 137.84 26.36 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.761 1.4 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.72 175.71 0.61 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.363 -0.836 . . . . 0.0 110.186 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -33.65 74.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.422 -0.799 . . . . 0.0 110.168 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.6 95.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.316 -0.865 . . . . 0.0 110.091 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.33 -39.66 92.7 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.41 -0.806 . . . . 0.0 110.035 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.18 -40.78 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.497 -0.752 . . . . 0.0 109.975 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -36.78 84.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 110.027 179.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -63.45 -48.08 79.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.347 -0.846 . . . . 0.0 110.088 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.05 -39.37 94.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.374 -0.829 . . . . 0.0 110.08 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.6 mtt -68.05 -29.58 68.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.349 -0.844 . . . . 0.0 110.076 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -68.12 -43.4 78.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.38 -0.825 . . . . 0.0 110.048 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.28 -28.06 64.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.84 . . . . 0.0 110.058 179.875 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mt -88.14 -53.28 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.366 -0.834 . . . . 0.0 110.039 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.176 -0.952 . . . . 0.0 110.663 -179.605 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.231 0.539 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.427 HD13 HG22 ' A' ' 63' ' ' ILE . 79.4 mt -79.96 125.72 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 0.0 110.394 -179.663 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 160.21 16.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.48 -0.762 . . . . 0.0 109.969 179.788 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 21.1 t80 -56.27 -36.24 68.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.311 -0.868 . . . . 0.0 110.34 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -54.92 25.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.891 . . . . 0.0 110.066 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.87 -35.16 79.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.412 -0.805 . . . . 0.0 110.095 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.13 -48.2 81.19 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.396 -0.815 . . . . 0.0 110.093 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD12 ' CE2' ' A' ' 65' ' ' PHE . 48.1 mt -58.89 -39.92 82.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.305 -0.872 . . . . 0.0 110.151 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.96 -48.88 69.84 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.267 -0.896 . . . . 0.0 110.052 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.2 -37.21 86.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.319 -0.863 . . . . 0.0 109.918 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.8 mmm -64.93 -42.96 94.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.422 -0.799 . . . . 0.0 110.047 179.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.494 1.73 0 O-C-N 121.302 -0.874 . . . . 0.0 110.267 179.94 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.173 0.511 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.11 -35.68 73.85 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.358 -0.839 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.56 -37.45 86.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.389 -0.82 . . . . 0.0 110.13 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 89' ' ' PHE . 3.2 mt -65.99 -46.65 77.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.347 -0.846 . . . . 0.0 110.149 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.37 -30.6 70.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.363 -0.836 . . . . 0.0 110.149 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.42 -49.81 38.12 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.463 -0.773 . . . . 0.0 109.912 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.86 97.26 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.363 -0.836 . . . . 0.0 110.106 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.419 ' CE2' HD22 ' A' ' 85' ' ' LEU . 7.1 m-85 -61.26 -43.1 99.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.314 -0.866 . . . . 0.0 110.091 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -61.47 -37.45 83.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.374 -0.829 . . . . 0.0 110.124 179.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.86 -37.37 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.367 -0.833 . . . . 0.0 110.051 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.423 ' CE2' HG23 ' A' ' 108' ' ' VAL . 7.4 m-85 -73.72 -32.4 63.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.464 -0.773 . . . . 0.0 110.223 179.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -90.6 100.44 13.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.417 -0.802 . . . . 0.0 110.261 -179.939 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -60.53 -59.18 5.8 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 110.042 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -146.51 42.59 1.17 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.344 -0.848 . . . . 0.0 110.197 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.55 31.11 7.82 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 p30 36.86 34.84 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.731 -0.864 . . . . 0.0 111.377 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.59 40.63 5.94 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.0 mt -137.07 114.12 10.64 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.293 -1.122 . . . . 0.0 110.268 179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 pt -124.7 160.28 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.417 -0.802 . . . . 0.0 110.153 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.7 t -79.63 160.05 26.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 0.0 110.199 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.8 -32.69 65.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.35 -0.844 . . . . 0.0 110.383 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.2 -54.28 40.06 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.31 -0.869 . . . . 0.0 110.107 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.6 -36.71 81.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.369 -0.832 . . . . 0.0 110.094 179.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.416 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -65.02 -39.43 93.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.097 179.85 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -66.07 -42.86 88.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 110.131 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -63.95 -29.29 70.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.203 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.423 HG23 ' CE2' ' A' ' 92' ' ' PHE . 70.0 t -74.22 -45.65 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.424 -0.798 . . . . 0.0 110.014 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -31.44 70.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.271 -0.893 . . . . 0.0 110.215 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.4 m -80.08 -33.82 38.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.362 -0.837 . . . . 0.0 110.144 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.1 t -71.22 -40.06 71.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.349 -0.845 . . . . 0.0 110.207 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.15 -26.28 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.443 -0.785 . . . . 0.0 110.082 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.88 28.6 41.44 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.95 -179.11 0.67 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.404 -1.056 . . . . 0.0 110.081 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -107.04 40.98 1.55 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.364 -0.835 . . . . 0.0 110.197 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 77.3 mt -119.04 104.79 10.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.374 -0.829 . . . . 0.0 110.162 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.4 p -67.21 179.15 1.26 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.39 -0.819 . . . . 0.0 110.184 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.01 -36.55 83.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.4 -0.812 . . . . 0.0 110.214 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.51 96.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.399 -0.813 . . . . 0.0 110.136 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.48 -50.54 72.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.322 -0.862 . . . . 0.0 110.143 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.54 -29.45 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.335 -0.853 . . . . 0.0 110.011 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -43.08 95.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.361 -0.837 . . . . 0.0 109.918 179.765 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.67 -34.17 76.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.377 -0.827 . . . . 0.0 109.974 179.817 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.2 ttm -79.64 -31.33 41.52 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 110.043 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.0 mt -64.27 -42.6 96.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.475 -0.766 . . . . 0.0 110.206 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -62.97 -37.61 87.78 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.409 -0.807 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -80.11 -28.21 39.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.837 . . . . 0.0 110.223 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.6 t -92.22 -64.84 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.374 -0.829 . . . . 0.0 110.098 -179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.8 t -65.07 -43.16 93.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.36 -0.838 . . . . 0.0 110.229 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.6 t0 52.85 36.78 22.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.341 -0.849 . . . . 0.0 110.411 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.2 96.72 0.03 OUTLIER Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -166.46 -56.3 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.432 -1.04 . . . . 0.0 110.241 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 130.43 -72.88 0.47 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -81.45 135.39 35.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.294 -1.121 . . . . 0.0 110.072 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 55.5 mt -123.51 145.4 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.345 -0.847 . . . . 0.0 110.244 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.93 121.51 28.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.409 -0.807 . . . . 0.0 110.194 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 22.1 pt -61.24 -21.19 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.386 -0.821 . . . . 0.0 110.488 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -59.48 -48.22 82.5 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.228 -0.92 . . . . 0.0 110.271 -179.902 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.6 -44.18 78.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.388 -0.82 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.416 ' CZ ' HD23 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.85 -48.19 81.65 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.356 -0.84 . . . . 0.0 110.08 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.02 -28.67 69.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.317 -0.864 . . . . 0.0 110.214 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.17 -36.16 58.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 110.127 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.5 mt -68.72 -29.97 68.51 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.319 -0.863 . . . . 0.0 110.103 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 88.4 mt -79.76 -29.55 40.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.406 -0.809 . . . . 0.0 110.165 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.365 -0.834 . . . . 0.0 110.188 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.166 0.508 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.87 106.38 3.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.403 -0.811 . . . . 0.0 110.201 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -134.61 -178.24 4.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.446 -0.784 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.09 164.85 3.73 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.348 -0.845 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -109.27 170.07 8.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.431 -0.793 . . . . 0.0 110.093 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -58.06 -41.55 83.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.32 -0.862 . . . . 0.0 110.282 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.92 -46.05 89.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.865 . . . . 0.0 109.988 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.424 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.1 mm100 -67.6 -45.18 76.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.5 -0.75 . . . . 0.0 109.971 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.99 -28.63 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.44 -0.788 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.36 -40.77 77.29 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.851 . . . . 0.0 110.124 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -65.23 -46.82 79.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.332 -0.855 . . . . 0.0 110.187 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 19.5 m-85 -62.4 -36.73 83.24 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.363 -0.835 . . . . 0.0 110.054 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -62.05 -40.3 95.29 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.439 -0.788 . . . . 0.0 110.178 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.05 -46.89 79.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.463 -0.773 . . . . 0.0 110.269 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.03 -34.92 71.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.358 -0.839 . . . . 0.0 110.26 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -70.12 -44.32 69.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.134 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.96 -27.32 66.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 110.196 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.09 -46.48 90.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.365 -0.834 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.421 ' CZ ' HG23 ' A' ' 34' ' ' THR . 50.0 m-85 -83.68 -27.72 28.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.4 -0.813 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.87 101.89 0.89 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.277 -0.889 . . . . 0.0 109.925 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -118.71 52.68 1.03 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.323 -0.861 . . . . 0.0 110.323 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -128.8 -98.55 0.36 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.294 -0.879 . . . . 0.0 110.151 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -174.43 34.08 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.968 -1.083 . . . . 0.0 110.235 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.06 -75.02 0.16 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.161 -0.962 . . . . 0.0 110.183 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.3 56.65 0.01 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.4 m -141.94 141.92 32.98 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.394 -1.062 . . . . 0.0 110.195 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.2 pt -126.84 154.92 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 110.231 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -79.99 160.1 26.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.402 -0.811 . . . . 0.0 110.216 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -63.05 -28.87 70.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.348 -0.845 . . . . 0.0 110.176 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.3 m -60.74 -28.58 68.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.0 110.222 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -96.59 -15.12 21.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.381 -0.824 . . . . 0.0 110.421 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 tp -57.4 -51.52 69.07 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.284 -0.885 . . . . 0.0 110.226 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.1 -39.73 79.35 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.325 -0.859 . . . . 0.0 110.243 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.421 HG23 ' CZ ' ' A' ' 19' ' ' PHE . 62.5 m -68.78 -40.34 79.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.376 -0.827 . . . . 0.0 110.087 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.59 -32.9 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 109.887 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.9 mtt -73.18 -36.58 66.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.37 -0.831 . . . . 0.0 109.875 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -66.7 -32.83 74.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.467 -0.771 . . . . 0.0 110.198 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.86 -28.9 39.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.336 -0.853 . . . . 0.0 110.16 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.35 -25.66 61.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.356 -0.84 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.87 36.15 0.64 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 mt -123.55 177.84 5.47 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.28 -1.129 . . . . 0.0 110.109 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 p -168.66 64.03 0.58 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.387 -0.821 . . . . 0.0 110.184 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.25 137.42 25.95 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 O-C-N 123.696 1.367 . . . . 0.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.54 168.04 5.05 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.421 -0.799 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.23 -25.96 59.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.255 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -40.1 68.32 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.427 -0.796 . . . . 0.0 109.995 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -69.55 -37.57 77.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.377 -0.827 . . . . 0.0 109.966 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.0 -38.16 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.351 -0.843 . . . . 0.0 109.877 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.96 -43.57 87.51 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.384 -0.823 . . . . 0.0 109.957 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -62.8 -44.59 95.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.351 -0.843 . . . . 0.0 109.982 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.55 -43.99 83.6 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 110.052 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.8 mtt -65.68 -29.02 69.51 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.31 -0.869 . . . . 0.0 109.964 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -66.99 -45.07 78.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.415 -0.803 . . . . 0.0 109.897 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.08 -36.89 85.51 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.388 -0.82 . . . . 0.0 109.879 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' A' ' 61' ' ' HIS . 15.0 mt -77.71 -57.59 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.445 -0.784 . . . . 0.0 109.799 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.61 103.25 0.83 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.41 -0.806 . . . . 0.0 110.185 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.5 t -93.67 -43.4 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.452 -0.78 . . . . 0.0 110.173 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -120.08 31.13 6.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.356 -0.84 . . . . 0.0 110.316 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.47 -36.36 4.05 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -128.11 146.17 50.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.389 -1.065 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.429 ' CD2' HG22 ' A' ' 55' ' ' ILE . 5.1 t60 -167.88 127.27 1.29 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.384 -0.822 . . . . 0.0 110.153 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -91.08 121.82 33.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.383 -0.823 . . . . 0.0 109.997 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.5 mt -79.94 124.4 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.315 -0.866 . . . . 0.0 110.31 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.74 160.17 15.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.433 -0.792 . . . . 0.0 109.949 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' A' ' 69' ' ' LEU . 13.5 t80 -55.07 -25.55 31.8 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.288 -0.883 . . . . 0.0 110.422 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.2 p -73.75 -52.89 11.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.283 -0.886 . . . . 0.0 110.023 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -66.42 -31.47 72.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.43 -0.794 . . . . 0.0 110.035 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -68.12 -47.18 68.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.359 -0.838 . . . . 0.0 110.083 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.416 HD12 ' CE2' ' A' ' 65' ' ' PHE . 56.7 mt -60.53 -37.19 80.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.272 -0.892 . . . . 0.0 110.053 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.41 75.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.406 -0.809 . . . . 0.0 110.074 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.08 -36.34 83.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.349 -0.844 . . . . 0.0 109.987 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.414 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 94.0 mmm -69.69 -37.68 76.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.319 -0.863 . . . . 0.0 109.901 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.2 p -61.96 -38.6 89.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.397 -0.815 . . . . 0.0 110.076 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -67.1 -39.71 86.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.356 -0.84 . . . . 0.0 110.0 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -80.3 -33.02 37.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.388 -0.82 . . . . 0.0 110.203 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.53 47.89 1.13 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.322 -0.861 . . . . 0.0 110.184 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.78 148.37 36.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.425 -0.797 . . . . 0.0 110.137 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 p -167.21 50.58 0.07 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.355 -0.841 . . . . 0.0 110.262 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -154.02 125.88 7.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 0.0 110.22 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.85 97.66 0.46 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.4 -0.812 . . . . 0.0 110.19 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.9 m -72.76 -44.96 60.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.334 -0.854 . . . . 0.0 110.148 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.74 -55.32 31.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.354 -0.841 . . . . 0.0 110.25 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -34.9 68.87 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.384 -0.822 . . . . 0.0 110.235 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -62.28 -39.92 94.53 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 110.121 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -44.44 80.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.364 -0.835 . . . . 0.0 110.052 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.54 -33.08 74.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.443 -0.785 . . . . 0.0 110.159 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.37 -46.01 74.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.424 -0.797 . . . . 0.0 110.121 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.89 83.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.447 -0.783 . . . . 0.0 110.179 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -61.55 -28.93 69.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.433 -0.792 . . . . 0.0 110.165 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -42.06 75.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.355 -0.841 . . . . 0.0 110.047 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.39 -43.99 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.393 -0.817 . . . . 0.0 109.956 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -66.06 -28.81 69.12 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.384 -0.822 . . . . 0.0 110.146 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -86.04 97.75 10.46 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.324 -0.86 . . . . 0.0 110.153 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -70.21 -26.69 63.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.457 -0.777 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -59.73 -64.96 0.76 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.813 . . . . 0.0 110.226 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.1 -29.67 2.61 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.9 -52.21 15.6 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.356 -1.085 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.0 47.02 0.1 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 51.7 mt -116.21 131.75 56.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.373 -1.075 . . . . 0.0 110.129 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.0 pt -146.2 160.26 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 0.0 110.226 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.7 m -79.8 160.18 26.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.363 -0.836 . . . . 0.0 110.029 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.47 49.65 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.287 -0.883 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.29 -51.64 62.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.368 -0.832 . . . . 0.0 109.985 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.89 -31.02 72.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.854 . . . . 0.0 110.008 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.42 HD21 ' CE2' ' A' ' 140' ' ' PHE . 24.9 tp -68.48 -40.75 80.86 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.829 . . . . 0.0 110.032 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -67.23 -39.34 86.23 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 0.0 110.069 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -66.4 -40.36 89.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.409 -0.807 . . . . 0.0 110.228 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.59 -39.33 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.412 -0.805 . . . . 0.0 110.038 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -33.26 75.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.284 -0.885 . . . . 0.0 110.108 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 m -76.9 -40.96 45.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.394 -0.816 . . . . 0.0 110.194 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.0 m -61.81 -44.23 97.27 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.388 -0.82 . . . . 0.0 110.072 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.8 -26.64 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.356 -0.84 . . . . 0.0 110.108 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.57 28.17 25.14 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 134.58 47.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.408 -1.054 . . . . 0.0 110.069 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.4 tpmp? -77.11 63.97 2.47 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.34 -0.85 . . . . 0.0 110.202 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.81 100.86 5.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.388 -0.82 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.0 p -63.05 -167.25 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.389 -0.819 . . . . 0.0 110.169 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.68 -31.58 65.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.851 . . . . 0.0 110.142 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.98 97.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.367 -0.833 . . . . 0.0 110.01 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -62.56 -53.22 57.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 110.075 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.18 -28.68 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.849 . . . . 0.0 110.003 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.09 -48.5 65.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.382 -0.824 . . . . 0.0 109.994 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.62 -33.58 75.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.5 ttp -76.42 -31.23 57.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 109.976 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.4 mt -69.83 -33.59 72.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.406 -0.809 . . . . 0.0 110.078 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -65.23 -39.7 93.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.84 . . . . 0.0 110.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.08 -27.3 39.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.322 -0.861 . . . . 0.0 110.383 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 59.5 t -91.07 -57.65 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.247 -0.908 . . . . 0.0 110.212 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.5 m -56.9 130.64 46.74 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.381 -0.824 . . . . 0.0 110.323 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.0 -32.49 7.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.846 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 136.07 54.15 0.06 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.8 t -132.2 -67.92 0.64 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.325 -1.103 . . . . 0.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.68 -49.49 0.47 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.616 -1.393 . . . . 0.0 109.616 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -99.28 129.94 45.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.307 -1.114 . . . . 0.0 110.213 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 84.6 mt -100.55 154.43 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.45 135.38 33.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.341 -0.85 . . . . 0.0 110.2 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.7 pt -73.87 -17.96 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.371 -0.831 . . . . 0.0 110.477 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.94 -54.12 49.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.908 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -68.66 -42.01 78.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.38 -0.825 . . . . 0.0 110.205 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.42 ' CE2' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.63 -40.98 93.12 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.37 -0.831 . . . . 0.0 110.056 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.45 87.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.186 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.65 -39.66 76.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.37 -0.831 . . . . 0.0 110.198 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.54 -34.69 74.5 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.343 -0.848 . . . . 0.0 110.234 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.71 -33.34 41.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.334 -0.854 . . . . 0.0 110.335 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.5 p -102.61 -73.7 0.65 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.395 -0.815 . . . . 0.0 110.397 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.265 -179.875 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.148 0.499 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -65.4 167.82 8.07 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.312 -0.867 . . . . 0.0 110.126 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -112.0 -173.47 2.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.381 -0.824 . . . . 0.0 110.212 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.15 139.87 57.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.383 -0.823 . . . . 0.0 110.321 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 p -84.89 -179.94 7.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.379 -0.826 . . . . 0.0 110.116 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.09 -35.45 78.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.347 -0.845 . . . . 0.0 110.138 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.87 -39.95 79.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.449 -0.782 . . . . 0.0 110.016 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 18.2 mm-40 -69.41 -43.46 73.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.31 -32.4 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.326 -0.859 . . . . 0.0 110.092 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.48 70.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.391 -0.818 . . . . 0.0 110.095 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -68.52 -48.53 64.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.388 -0.82 . . . . 0.0 110.127 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 25.8 m-85 -61.27 -38.54 87.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 110.069 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 9.2 ttmt -61.8 -41.7 98.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.421 -0.799 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.9 -49.26 78.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.337 -0.852 . . . . 0.0 110.319 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.58 -27.2 63.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.403 -0.811 . . . . 0.0 110.259 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -76.16 -41.88 48.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.268 -0.895 . . . . 0.0 110.122 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.07 -28.09 65.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.327 -0.858 . . . . 0.0 110.129 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.43 -31.54 72.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.349 -0.844 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CZ ' HG23 ' A' ' 34' ' ' THR . 74.5 m-85 -107.4 28.29 8.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.416 -0.803 . . . . 0.0 110.245 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -126.93 71.87 1.33 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.348 -0.845 . . . . 0.0 110.165 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -103.37 67.42 0.92 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.371 -0.83 . . . . 0.0 110.197 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.41 -75.23 0.39 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.33 -0.856 . . . . 0.0 110.282 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -164.95 -59.9 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.336 -0.853 . . . . 0.0 110.268 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -88.53 -172.46 3.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.381 -0.825 . . . . 0.0 110.244 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.59 82.79 0.47 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -154.64 144.81 21.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.402 -1.058 . . . . 0.0 110.146 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.403 HD13 HG22 ' A' ' 27' ' ' ILE . 43.6 pt -125.84 159.98 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 0.0 110.239 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.4 m -84.72 160.07 20.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.44 -0.788 . . . . 0.0 110.248 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -38.05 82.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.434 -0.791 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.99 -28.04 62.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.414 -0.804 . . . . 0.0 110.278 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -90.71 -19.17 23.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.323 -0.861 . . . . 0.0 110.266 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.7 tp -54.68 -51.16 66.38 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -0.872 . . . . 0.0 110.454 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.28 -41.46 88.95 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.337 -0.852 . . . . 0.0 110.22 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.429 HG23 ' CZ ' ' A' ' 19' ' ' PHE . 44.3 m -66.93 -38.29 85.91 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.353 -0.842 . . . . 0.0 110.055 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.39 -38.59 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.411 -0.805 . . . . 0.0 109.927 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.0 mtt -68.21 -34.56 76.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.406 -0.809 . . . . 0.0 109.861 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -66.61 -35.02 79.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.39 -0.819 . . . . 0.0 110.183 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.26 -34.62 48.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.837 . . . . 0.0 110.185 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.19 -24.29 67.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.307 -0.87 . . . . 0.0 110.221 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.98 32.0 1.63 Allowed Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.8 mt -121.01 -178.59 3.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.368 -1.077 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -168.89 68.66 0.7 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.284 -0.885 . . . . 0.0 110.182 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.63 137.52 27.7 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.756 1.398 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.83 165.79 4.99 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.33 -0.856 . . . . 0.0 110.11 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -56.25 -28.27 57.93 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.04 -41.46 74.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 0.0 110.012 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -35.17 77.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.36 -0.837 . . . . 0.0 110.093 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.6 -41.4 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.373 -0.829 . . . . 0.0 110.016 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -61.76 -40.07 93.85 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.351 -0.843 . . . . 0.0 110.054 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -62.78 -49.07 76.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.297 -0.877 . . . . 0.0 110.094 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.39 -38.98 93.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.357 -0.84 . . . . 0.0 110.044 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.5 mtt -69.15 -29.35 67.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.434 -0.791 . . . . 0.0 109.999 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -68.05 -42.16 80.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.429 -0.794 . . . . 0.0 110.084 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -70.27 -32.17 69.86 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.413 -0.804 . . . . 0.0 110.052 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.7 mt -86.32 -59.05 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.396 -0.815 . . . . 0.0 109.964 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -59.89 111.52 1.5 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.315 -0.865 . . . . 0.0 110.178 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -120.42 -48.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.416 -0.802 . . . . 0.0 110.266 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -102.61 -46.45 4.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.382 -0.824 . . . . 0.0 110.612 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.97 -65.52 0.01 OUTLIER Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -119.17 -38.55 3.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.328 -1.101 . . . . 0.0 110.546 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.1 t60 56.68 108.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.435 -0.79 . . . . 0.0 110.515 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -79.71 125.97 30.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.303 -0.873 . . . . 0.0 110.026 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.6 mt -85.18 135.82 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.375 -0.828 . . . . 0.0 110.277 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -96.25 160.2 14.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.36 -0.837 . . . . 0.0 110.011 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CE2' HD12 ' A' ' 69' ' ' LEU . 15.8 t80 -57.72 -36.65 72.3 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.895 . . . . 0.0 110.279 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -62.78 -53.06 60.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.346 -0.846 . . . . 0.0 110.097 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.53 -29.81 70.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.413 -0.804 . . . . 0.0 110.046 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -69.22 -49.51 55.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.406 -0.809 . . . . 0.0 110.086 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 65' ' ' PHE . 44.9 mt -60.26 -32.2 70.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.282 -0.886 . . . . 0.0 110.057 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.14 -49.75 47.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.402 -0.811 . . . . 0.0 110.055 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.57 -36.74 79.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.324 -0.86 . . . . 0.0 110.104 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.457 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 92.5 mmm -69.05 -42.16 76.68 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.452 -0.78 . . . . 0.0 109.927 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -31.95 69.68 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.376 -0.828 . . . . 0.0 109.935 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.71 -30.93 41.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.428 -0.795 . . . . 0.0 109.618 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -83.16 -34.01 26.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.45 -0.781 . . . . 0.0 109.78 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.19 -33.39 12.64 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.418 -0.801 . . . . 0.0 109.879 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 41.36 -158.81 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.706 -0.621 . . . . 0.0 111.214 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -168.38 -52.27 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.35 -0.844 . . . . 0.0 110.106 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -156.64 -170.31 3.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.311 -0.868 . . . . 0.0 110.152 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -167.91 122.12 0.95 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.282 -0.886 . . . . 0.0 110.284 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.0 m -76.19 -28.17 57.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.307 -0.871 . . . . 0.0 110.177 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -61.07 -54.77 40.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.32 -0.863 . . . . 0.0 110.2 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.07 -33.41 64.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.384 -0.822 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -44.53 95.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.402 -0.811 . . . . 0.0 110.019 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -46.96 83.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 110.142 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.15 -33.71 72.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.452 -0.78 . . . . 0.0 110.234 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -68.66 -49.06 62.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.36 -0.838 . . . . 0.0 110.105 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.69 -40.93 98.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.339 -0.851 . . . . 0.0 110.211 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.427 ' CE1' HG11 ' A' ' 108' ' ' VAL . 8.0 m-85 -63.97 -32.86 74.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.358 -0.839 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -67.71 -44.22 78.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.307 -0.87 . . . . 0.0 110.265 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.2 t -60.97 -40.74 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.272 -0.892 . . . . 0.0 110.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 108' ' ' VAL . 10.1 m-85 -67.56 -27.34 66.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.294 -0.879 . . . . 0.0 110.159 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.46 142.86 42.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.399 -0.813 . . . . 0.0 110.239 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -108.88 41.17 1.65 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.32 -0.862 . . . . 0.0 110.259 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -158.3 -43.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.825 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.3 29.19 6.45 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -113.61 -17.15 12.23 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.344 -1.091 . . . . 0.0 110.518 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.77 47.94 2.83 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.7 mt -139.02 110.54 7.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.388 -1.066 . . . . 0.0 110.13 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.9 pt -125.97 160.36 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.377 -0.827 . . . . 0.0 110.199 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -79.8 160.21 26.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.164 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.34 -36.13 60.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.34 -0.85 . . . . 0.0 110.401 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.88 77.73 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.284 -0.885 . . . . 0.0 110.105 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.71 -35.29 79.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.359 -0.838 . . . . 0.0 109.951 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.413 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -62.25 -39.87 94.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.462 -0.774 . . . . 0.0 110.037 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -70.96 -35.83 72.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.349 -0.844 . . . . 0.0 110.161 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.44 -29.09 65.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.385 -0.822 . . . . 0.0 110.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.427 HG11 ' CE1' ' A' ' 89' ' ' PHE . 60.0 t -76.38 -41.82 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.296 -0.877 . . . . 0.0 109.95 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.74 -36.71 84.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.326 -0.859 . . . . 0.0 110.15 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.4 m -77.66 -28.8 51.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.373 -0.829 . . . . 0.0 110.192 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -74.39 -42.18 59.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.351 -0.843 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.39 -27.0 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.398 -0.814 . . . . 0.0 110.158 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.29 33.07 23.94 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.33 164.86 25.98 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.364 -1.08 . . . . 0.0 110.16 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.09 62.26 1.27 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.386 -0.821 . . . . 0.0 110.2 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.9 mt -125.57 112.26 15.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.851 . . . . 0.0 110.197 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 78.1 p -62.98 -174.17 0.07 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.378 -0.827 . . . . 0.0 110.164 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -77.74 -30.28 51.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.318 -0.864 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.41 96.42 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.419 -0.801 . . . . 0.0 110.2 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -61.41 -49.36 77.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.348 -0.845 . . . . 0.0 110.218 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.13 -27.93 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.339 -0.851 . . . . 0.0 110.069 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.84 -43.41 83.75 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.356 -0.84 . . . . 0.0 110.013 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -32.52 72.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.422 -0.799 . . . . 0.0 110.082 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.428 ' HE2' ' CE2' ' A' ' 140' ' ' PHE . 11.2 mtm -79.07 -26.68 43.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.342 -0.849 . . . . 0.0 110.26 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mt -71.61 -44.88 63.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.279 -0.888 . . . . 0.0 110.198 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -65.22 -31.1 72.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.346 -0.846 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.86 -28.67 39.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 0.0 110.367 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.18 -54.71 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.336 -0.852 . . . . 0.0 110.194 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.0 t -63.47 140.16 58.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.295 -0.878 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -115.07 36.47 3.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.352 -0.842 . . . . 0.0 110.195 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.47 36.91 78.19 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.9 m -118.4 -35.57 3.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -1.055 . . . . 0.0 110.188 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.06 -38.01 3.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -94.73 135.85 35.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.413 -1.051 . . . . 0.0 110.213 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 87.3 mt -123.35 144.1 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.391 -0.818 . . . . 0.0 110.149 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -82.98 126.01 32.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.373 -0.83 . . . . 0.0 110.165 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.404 HG21 ' CD1' ' A' ' 89' ' ' PHE . 18.1 pt -63.95 -21.77 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.385 -0.822 . . . . 0.0 110.354 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -61.98 -46.7 88.12 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.308 -0.87 . . . . 0.0 110.19 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -61.82 -52.39 64.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.389 -0.819 . . . . 0.0 110.203 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.428 ' CE2' ' HE2' ' A' ' 124' ' ' MET . 0.2 OUTLIER -62.61 -39.75 94.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.355 -0.84 . . . . 0.0 110.055 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.8 -33.86 76.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.42 -0.8 . . . . 0.0 110.185 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.69 62.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.384 -0.822 . . . . 0.0 110.214 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.34 -36.44 76.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.338 -0.851 . . . . 0.0 110.145 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 84.3 mt -78.24 -28.05 47.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.198 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.9 m -67.49 143.67 56.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.187 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 21.9 pttt . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.189 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.227 0.537 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -152.01 151.7 31.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.33 -0.856 . . . . 0.0 110.205 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 52.56 -170.79 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.354 -0.841 . . . . 0.0 110.347 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.5 mt -54.51 121.63 8.79 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.288 -0.882 . . . . 0.0 110.441 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p -69.69 174.46 5.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.301 -0.875 . . . . 0.0 110.149 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.54 -32.76 72.84 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.326 -0.859 . . . . 0.0 110.242 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -64.66 -52.11 59.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 110.092 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 56.3 mt-30 -62.8 -42.08 99.56 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.32 -0.862 . . . . 0.0 110.13 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -66.88 -36.28 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.317 -0.864 . . . . 0.0 109.991 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.22 82.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.351 -0.843 . . . . 0.0 110.091 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -47.87 66.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.397 -0.814 . . . . 0.0 110.158 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CE1' ' HE1' ' A' ' 72' ' ' MET . 24.5 m-85 -62.74 -38.28 89.9 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.286 -0.884 . . . . 0.0 110.003 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 2.1 ttmt -61.68 -39.63 92.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.379 -0.825 . . . . 0.0 110.149 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.98 -52.25 60.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.286 -0.884 . . . . 0.0 110.151 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.38 79.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 0.0 110.142 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.41 ' CZ ' HG12 ' A' ' 27' ' ' ILE . 9.7 t80 -71.3 -39.54 71.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.797 . . . . 0.0 110.091 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.65 -29.38 69.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 110.118 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.15 -38.0 87.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.464 -0.773 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -101.72 24.39 9.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 0.0 110.343 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -108.55 123.09 48.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 110.11 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -79.33 -92.74 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.4 -0.812 . . . . 0.0 110.4 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -173.07 43.52 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.949 -1.094 . . . . 0.0 110.203 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -101.97 -63.76 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.879 . . . . 0.0 110.365 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -150.57 27.52 0.73 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.277 -0.889 . . . . 0.0 110.173 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.02 51.42 45.38 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.5 p -139.16 154.63 48.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -1.061 . . . . 0.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.41 HG12 ' CZ ' ' A' ' 16' ' ' PHE . 40.8 pt -120.42 158.5 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.368 -0.833 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -80.76 158.96 25.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.383 -0.823 . . . . 0.0 110.269 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.39 -39.55 93.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.356 -0.84 . . . . 0.0 110.217 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.6 p -55.32 -27.2 45.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.364 -0.835 . . . . 0.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -91.4 -15.65 28.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 110.44 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.3 tp -55.15 -55.9 25.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.224 -0.922 . . . . 0.0 110.492 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.84 76.38 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.353 -0.842 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 m -66.87 -40.6 87.88 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.432 -0.792 . . . . 0.0 109.917 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.33 -41.14 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.272 -0.892 . . . . 0.0 109.587 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mtt -69.78 -28.02 65.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.407 -0.808 . . . . 0.0 109.518 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -38.51 88.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.451 -0.781 . . . . 0.0 109.905 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.3 m -80.15 -32.53 38.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.379 -0.825 . . . . 0.0 110.333 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.45 -26.07 68.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.413 -0.804 . . . . 0.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.06 32.65 2.16 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 mt -116.11 176.23 5.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -1.084 . . . . 0.0 110.177 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -166.34 68.79 1.09 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.406 -0.809 . . . . 0.0 110.078 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.64 137.41 27.48 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 O-C-N 123.77 1.405 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -62.09 171.06 1.9 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.401 -0.812 . . . . 0.0 110.082 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.0 -28.56 67.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.882 . . . . 0.0 110.133 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.51 -41.52 72.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 0.0 110.028 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.49 -38.62 87.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.457 -0.777 . . . . 0.0 110.142 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.7 t -66.33 -40.18 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.338 -0.851 . . . . 0.0 109.926 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -62.65 -38.32 89.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.4 -0.813 . . . . 0.0 110.144 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -63.28 -47.78 80.91 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.431 -0.793 . . . . 0.0 110.066 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.53 -41.66 96.23 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.386 -0.822 . . . . 0.0 110.078 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.0 mtt -69.25 -29.44 67.36 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.453 -0.779 . . . . 0.0 110.057 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.68 -38.09 80.08 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.115 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.86 -29.14 39.97 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.294 -0.879 . . . . 0.0 110.056 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.415 HG23 ' CD2' ' A' ' 61' ' ' HIS . 30.1 mt -89.29 -63.6 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.407 -0.808 . . . . 0.0 109.962 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -58.55 92.18 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.38 -0.825 . . . . 0.0 110.341 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.5 t -97.64 -32.89 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.443 -0.786 . . . . 0.0 110.138 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -127.43 -150.89 0.46 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.365 -0.834 . . . . 0.0 110.256 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.1 -46.42 85.2 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -147.94 133.18 18.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.332 -1.099 . . . . 0.0 110.347 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.415 ' CD2' HG23 ' A' ' 55' ' ' ILE . 5.9 t60 -119.72 128.1 53.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.375 -0.828 . . . . 0.0 110.151 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.54 117.74 29.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.352 -0.843 . . . . 0.0 110.115 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.1 mt -80.18 128.8 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.326 -0.858 . . . . 0.0 110.23 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.49 160.21 16.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.38 -0.825 . . . . 0.0 109.996 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.413 ' CE2' HD12 ' A' ' 69' ' ' LEU . 15.4 t80 -59.07 -30.36 68.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.297 -0.877 . . . . 0.0 110.3 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t -67.34 -54.36 21.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 110.134 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -63.14 -33.91 76.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.384 -0.823 . . . . 0.0 110.125 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.49 -49.71 72.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.133 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 65' ' ' PHE . 44.3 mt -60.6 -33.02 72.12 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.417 -0.802 . . . . 0.0 110.242 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.72 -48.09 49.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.404 -0.81 . . . . 0.0 110.129 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.8 mt -62.13 -41.05 97.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.409 -0.807 . . . . 0.0 110.036 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.426 ' HE1' ' CE1' ' A' ' 12' ' ' PHE . 72.8 mmm -65.79 -34.47 78.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.438 -0.789 . . . . 0.0 110.091 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t -63.8 -41.18 97.96 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.419 -0.801 . . . . 0.0 110.014 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -69.48 -32.12 70.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.085 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -85.9 -28.93 24.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.355 -0.841 . . . . 0.0 110.244 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.09 -34.19 77.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.377 -0.827 . . . . 0.0 110.177 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -89.19 178.01 6.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.419 -0.8 . . . . 0.0 110.161 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 t -91.89 172.44 8.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.295 -0.878 . . . . 0.0 110.181 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -106.58 42.61 1.25 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.396 -0.815 . . . . 0.0 110.182 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -103.96 -7.44 20.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.292 -0.88 . . . . 0.0 110.514 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.6 p -58.37 -23.02 55.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.185 -0.947 . . . . 0.0 110.47 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -58.28 -59.1 5.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.276 -0.89 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -58.05 -33.06 68.61 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -0.798 . . . . 0.0 110.223 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.95 -43.02 80.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.132 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -42.65 97.47 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.407 -0.808 . . . . 0.0 110.066 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.29 -33.6 74.96 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.391 -0.818 . . . . 0.0 109.988 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -49.24 71.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.446 -0.784 . . . . 0.0 110.199 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.09 99.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.39 -0.819 . . . . 0.0 110.173 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -64.32 -33.76 76.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.315 -0.866 . . . . 0.0 110.109 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -43.3 95.35 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.308 -0.87 . . . . 0.0 109.965 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.8 t -64.15 -37.93 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.431 -0.793 . . . . 0.0 110.002 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -79.97 -14.91 58.23 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.392 -0.817 . . . . 0.0 110.484 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -57.33 129.92 43.96 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.247 -0.908 . . . . 0.0 110.369 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -109.12 26.23 10.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.294 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -134.32 -59.85 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.337 -0.852 . . . . 0.0 110.106 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.89 -28.76 1.14 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -99.74 -38.45 8.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.415 -1.05 . . . . 0.0 110.323 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.74 67.0 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.6 mt -131.93 108.33 9.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.324 -1.103 . . . . 0.0 110.108 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.5 pt -128.62 160.16 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.33 -0.856 . . . . 0.0 110.184 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.1 t -79.89 160.18 26.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.367 -0.833 . . . . 0.0 110.119 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.72 -26.7 14.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.302 -0.874 . . . . 0.0 110.569 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -50.78 60.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -65.61 -33.33 75.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 110.052 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.421 ' CD2' ' CZ ' ' A' ' 140' ' ' PHE . 1.2 tp -68.86 -32.67 72.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.0 110.172 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -73.23 -42.2 62.87 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 110.166 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -66.44 -29.29 69.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.427 -0.796 . . . . 0.0 110.215 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.6 t -79.19 -43.43 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.328 -0.857 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.01 -29.89 70.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.35 -0.844 . . . . 0.0 110.183 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.8 m -79.2 -29.37 42.84 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.332 -0.855 . . . . 0.0 110.133 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 m -77.48 -37.48 51.17 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.35 -0.844 . . . . 0.0 110.144 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.05 -27.1 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.36 -0.837 . . . . 0.0 110.174 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.62 28.87 25.65 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.79 -12.56 61.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.345 -1.091 . . . . 0.0 110.349 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 tttt 54.94 47.47 22.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.194 -0.941 . . . . 0.0 110.402 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt -99.66 115.51 29.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.397 -0.814 . . . . 0.0 110.227 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -61.21 162.81 7.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 110.163 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.36 -33.35 73.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.289 -0.882 . . . . 0.0 110.203 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.24 86.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.317 -0.864 . . . . 0.0 110.177 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.44 -52.33 47.46 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.405 -0.81 . . . . 0.0 110.108 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.45 -29.23 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.359 -0.838 . . . . 0.0 109.95 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -65.93 -43.23 88.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.382 -0.824 . . . . 0.0 109.956 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.2 -31.84 69.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.345 -0.847 . . . . 0.0 110.067 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.416 ' HE1' ' CE1' ' A' ' 140' ' ' PHE . 1.1 ttp -79.98 -29.69 39.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.44 -0.787 . . . . 0.0 110.144 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.406 ' CD2' ' CD1' ' A' ' 135' ' ' ILE . 12.8 mt -72.82 -33.52 66.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.338 -0.851 . . . . 0.0 110.235 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -66.24 -37.34 85.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -0.842 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -80.2 -29.82 38.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.343 -0.848 . . . . 0.0 110.324 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.6 t -90.4 -57.61 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.401 -0.812 . . . . 0.0 110.23 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 t -59.98 142.62 53.52 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.346 -0.847 . . . . 0.0 110.236 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -115.26 -44.41 3.0 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.95 -24.08 0.71 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.1 m -56.66 -27.33 58.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.298 -1.119 . . . . 0.0 110.458 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.33 31.12 6.63 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -154.32 129.35 9.55 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.382 -1.069 . . . . 0.0 110.173 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.406 ' CD1' ' CD2' ' A' ' 125' ' ' LEU . 86.1 mt -112.84 147.36 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.09 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -93.91 122.48 36.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.437 -0.789 . . . . 0.0 110.188 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.3 pp -61.18 -21.43 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.327 -0.858 . . . . 0.0 110.362 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -60.15 -54.66 43.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.33 -0.856 . . . . 0.0 110.179 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.75 -36.04 82.56 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.84 . . . . 0.0 110.142 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.421 ' CZ ' ' CD2' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -70.47 -40.09 73.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.387 -0.82 . . . . 0.0 109.998 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.63 -33.34 75.4 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.341 -0.849 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.53 -32.18 42.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.324 -0.86 . . . . 0.0 110.142 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.38 -35.33 80.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.328 -0.858 . . . . 0.0 110.231 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.2 mt -79.37 -30.92 42.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.287 -0.883 . . . . 0.0 110.229 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -85.98 62.4 7.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.321 -0.862 . . . . 0.0 110.254 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.235 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.193 0.521 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.74 43.74 31.02 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.31 -0.869 . . . . 0.0 110.454 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -152.03 166.65 30.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.356 -0.84 . . . . 0.0 110.24 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.05 132.75 51.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 p -85.05 177.76 7.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -0.849 . . . . 0.0 110.119 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.01 -37.55 85.3 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.357 -0.839 . . . . 0.0 110.19 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.34 -43.34 91.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.377 -0.827 . . . . 0.0 110.056 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 25.4 mm-40 -67.56 -45.02 76.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.43 -0.794 . . . . 0.0 110.132 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.9 mt -65.64 -28.51 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.323 -0.86 . . . . 0.0 109.948 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.27 -37.04 71.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.28 -0.888 . . . . 0.0 110.076 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -66.78 -47.69 71.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.321 -0.862 . . . . 0.0 110.097 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 26.3 m-85 -61.82 -39.14 90.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.311 -0.868 . . . . 0.0 110.054 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -60.25 -40.45 90.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 0.0 110.146 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.11 -53.61 53.0 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.117 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.28 -30.51 70.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.38 -0.825 . . . . 0.0 110.151 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CZ ' HG12 ' A' ' 27' ' ' ILE . 14.2 t80 -74.25 -39.6 62.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.353 -0.842 . . . . 0.0 110.273 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.95 66.58 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.33 -0.856 . . . . 0.0 110.147 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.66 -39.72 95.04 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.371 -0.831 . . . . 0.0 110.283 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CZ ' HG21 ' A' ' 34' ' ' THR . 92.9 m-85 -102.23 25.43 8.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.332 -0.855 . . . . 0.0 110.131 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -133.09 82.49 2.0 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.336 -0.852 . . . . 0.0 110.163 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -120.01 -8.86 9.72 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.395 -0.815 . . . . 0.0 110.664 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -127.88 28.11 5.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.186 -0.946 . . . . 0.0 110.391 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' GLY . 3.1 m-80 -151.18 25.79 0.71 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m120 55.44 -86.62 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.382 -0.824 . . . . 0.0 110.571 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 23' ' ' ASN . . . -129.56 54.77 0.78 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -157.76 142.6 16.58 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.402 -1.057 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.42 HG12 ' CZ ' ' A' ' 16' ' ' PHE . 43.5 pt -120.51 157.24 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.376 -0.828 . . . . 0.0 110.256 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.09 159.07 22.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.425 -0.797 . . . . 0.0 110.193 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -60.84 -27.5 68.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -0.805 . . . . 0.0 110.13 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 p -63.54 -30.41 71.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.361 -0.837 . . . . 0.0 110.185 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -94.02 -14.83 25.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 0.0 110.51 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.5 tp -53.26 -57.87 9.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.207 -0.933 . . . . 0.0 110.459 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.03 -35.92 71.99 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.265 -0.897 . . . . 0.0 110.218 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.415 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 40.9 m -67.57 -36.02 80.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.315 -0.866 . . . . 0.0 110.034 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.41 HG13 ' CZ ' ' A' ' 68' ' ' PHE . 98.1 t -62.3 -44.93 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.439 -0.788 . . . . 0.0 109.805 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.5 mtt -64.01 -34.96 79.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.44 -0.787 . . . . 0.0 109.9 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -61.31 -40.55 94.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.395 -0.816 . . . . 0.0 110.053 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 m -75.97 -33.84 59.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.415 -0.803 . . . . 0.0 110.078 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.9 -23.31 66.24 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.394 -0.817 . . . . 0.0 110.224 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.48 34.91 0.68 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.5 mt -127.53 178.11 6.31 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.257 -1.143 . . . . 0.0 110.117 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 t -167.35 67.19 0.86 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.391 -0.818 . . . . 0.0 110.207 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -75.22 137.33 21.1 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 O-C-N 123.725 1.382 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.3 173.46 1.17 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.45 -0.781 . . . . 0.0 110.013 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.04 -28.73 66.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -0.861 . . . . 0.0 110.191 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.4 -43.35 77.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.453 -0.779 . . . . 0.0 109.983 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.8 -42.04 95.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -0.839 . . . . 0.0 109.989 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.89 -39.15 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.345 -0.847 . . . . 0.0 109.867 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -62.47 -40.72 97.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.421 -0.799 . . . . 0.0 109.908 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.17 -47.01 88.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.392 -0.817 . . . . 0.0 110.044 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.77 -46.48 90.3 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.434 -0.791 . . . . 0.0 109.884 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 mtt -66.17 -28.65 68.93 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -0.839 . . . . 0.0 109.84 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -65.55 -37.6 87.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.311 -0.868 . . . . 0.0 109.714 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -74.14 -38.28 63.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.452 -0.78 . . . . 0.0 109.896 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.425 HG23 ' CD2' ' A' ' 61' ' ' HIS . 2.1 mt -82.15 -63.79 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.404 -0.81 . . . . 0.0 109.858 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -64.59 94.32 0.12 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.382 -0.824 . . . . 0.0 110.236 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.12 -56.13 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 0.0 110.021 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.62 -33.14 4.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.394 -0.816 . . . . 0.0 110.22 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.66 -31.09 0.24 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -109.81 115.24 29.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.424 -1.045 . . . . 0.0 110.237 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.425 ' CD2' HG23 ' A' ' 55' ' ' ILE . 3.9 t-160 -167.17 116.61 0.85 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -0.807 . . . . 0.0 110.237 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.85 149.58 21.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.377 -0.827 . . . . 0.0 110.181 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.415 HG23 HD13 ' A' ' 63' ' ' ILE . 80.7 mt -104.01 121.83 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.369 -0.832 . . . . 0.0 110.169 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -89.25 160.21 17.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.381 -0.824 . . . . 0.0 110.133 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.412 ' CE2' HD13 ' A' ' 69' ' ' LEU . 18.7 t80 -56.43 -30.48 62.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.297 -0.877 . . . . 0.0 110.267 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -64.9 -60.01 3.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.824 . . . . 0.0 110.1 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.18 -33.14 73.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.397 -0.815 . . . . 0.0 110.084 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.41 ' CZ ' HG13 ' A' ' 35' ' ' VAL . 75.3 t80 -63.25 -47.65 81.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.085 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 65' ' ' PHE . 36.9 mt -59.53 -42.45 92.35 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.319 -0.863 . . . . 0.0 110.12 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.33 86.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.286 -0.884 . . . . 0.0 110.054 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.1 -32.84 73.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.093 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.6 mmm -72.68 -35.93 67.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.336 -0.852 . . . . 0.0 110.026 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.8 p -65.47 -35.9 82.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.455 -0.778 . . . . 0.0 110.182 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.81 -38.34 64.62 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.303 -0.873 . . . . 0.0 109.943 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -76.06 -34.85 59.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.413 -0.804 . . . . 0.0 110.175 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.19 -26.86 68.58 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.403 -0.811 . . . . 0.0 110.139 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 154.43 38.59 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.353 -0.842 . . . . 0.0 110.126 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -155.55 99.82 2.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.3 -0.875 . . . . 0.0 110.245 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -123.32 53.07 1.34 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.355 -0.84 . . . . 0.0 110.155 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -158.61 43.89 0.28 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.844 . . . . 0.0 110.176 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 m -78.18 -22.48 48.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.362 -0.836 . . . . 0.0 110.332 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.58 -53.86 53.52 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.293 -0.879 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -55.66 -40.21 71.94 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.381 -0.824 . . . . 0.0 110.397 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.16 -44.45 92.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.263 -0.898 . . . . 0.0 110.137 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.01 -41.56 99.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.352 -0.843 . . . . 0.0 110.211 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.0 mt -62.28 -32.89 73.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.463 -0.773 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -67.87 -47.05 69.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.31 -0.869 . . . . 0.0 110.225 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.76 90.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.351 -0.843 . . . . 0.0 110.215 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.426 ' CD1' HG22 ' A' ' 137' ' ' ILE . 12.9 m-85 -62.56 -35.45 79.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.39 -0.819 . . . . 0.0 110.211 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -63.56 -44.34 94.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.393 -0.817 . . . . 0.0 110.173 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.83 -38.83 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.396 -0.815 . . . . 0.0 110.051 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.453 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.7 m-85 -73.54 -26.59 60.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.319 -0.863 . . . . 0.0 110.251 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -61.07 133.94 56.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.263 -0.898 . . . . 0.0 110.229 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -103.11 -31.87 9.95 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.348 -0.845 . . . . 0.0 110.168 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -33.79 70.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.292 -0.88 . . . . 0.0 110.234 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.49 -30.05 7.83 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -77.76 -67.36 0.73 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.361 -1.082 . . . . 0.0 110.187 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.58 55.82 0.01 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 mt -130.43 108.59 10.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.412 -1.052 . . . . 0.0 110.22 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.98 160.23 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.339 -0.851 . . . . 0.0 110.235 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -79.72 160.24 26.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.442 -0.786 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.82 -34.87 60.57 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.283 -0.886 . . . . 0.0 110.46 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.12 -52.53 64.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.41 -0.806 . . . . 0.0 110.181 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.76 -30.08 71.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.243 -0.91 . . . . 0.0 110.035 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -42.37 75.12 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.391 -0.818 . . . . 0.0 110.157 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -65.2 -42.35 93.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.41 -0.806 . . . . 0.0 110.085 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -61.81 -36.25 80.58 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.346 -0.847 . . . . 0.0 110.087 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.453 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 73.6 t -71.2 -36.66 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.385 -0.822 . . . . 0.0 110.075 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.9 -29.27 69.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.438 -0.789 . . . . 0.0 110.26 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 m -78.54 -34.79 46.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.431 -0.793 . . . . 0.0 110.262 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 t -69.11 -40.92 78.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.313 -0.867 . . . . 0.0 110.223 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.78 -27.25 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.409 -0.807 . . . . 0.0 110.11 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.35 33.6 25.26 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -74.78 146.33 42.19 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.327 -1.101 . . . . 0.0 110.115 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.81 63.81 7.0 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.393 -0.817 . . . . 0.0 110.298 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.1 mt -109.88 114.75 28.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.848 . . . . 0.0 110.173 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -62.17 159.97 13.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.363 -0.836 . . . . 0.0 110.227 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.16 -28.3 69.03 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.395 -0.815 . . . . 0.0 110.131 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.88 -32.86 73.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.419 -0.801 . . . . 0.0 110.144 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.26 -50.16 49.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.28 -0.887 . . . . 0.0 110.119 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.71 -29.75 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.321 -0.862 . . . . 0.0 109.954 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -73.86 -51.47 16.13 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.402 -0.811 . . . . 0.0 109.96 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -64.56 -31.64 72.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.825 . . . . 0.0 110.018 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 14.5 mtp -69.51 -36.46 76.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 110.05 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.74 -42.11 86.75 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.375 -0.828 . . . . 0.0 110.142 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -60.44 -32.47 71.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.331 -0.856 . . . . 0.0 110.264 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -80.27 -44.04 20.32 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.317 -0.864 . . . . 0.0 110.314 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.4 t -80.71 -56.84 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.265 -0.897 . . . . 0.0 110.367 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.3 t -56.32 122.14 11.16 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.327 -0.858 . . . . 0.0 110.368 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -169.96 -37.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.407 -0.808 . . . . 0.0 110.333 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.7 -81.8 0.07 OUTLIER Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.8 p -124.89 -58.4 1.48 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.362 -1.081 . . . . 0.0 110.351 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.59 -36.89 0.05 OUTLIER Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -79.62 133.9 36.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.279 -1.13 . . . . 0.0 110.207 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 47.4 mt -107.95 141.31 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.364 -0.835 . . . . 0.0 110.218 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -83.34 149.68 26.59 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.355 -0.841 . . . . 0.0 110.08 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.426 HG22 ' CD1' ' A' ' 89' ' ' PHE . 4.1 pt -70.01 -18.86 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.353 -0.842 . . . . 0.0 110.605 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.01 -47.44 84.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.902 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -64.2 -51.81 61.92 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.317 -0.865 . . . . 0.0 110.123 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -63.7 -32.58 74.11 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.323 -0.861 . . . . 0.0 110.109 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.53 70.11 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.397 -0.814 . . . . 0.0 110.163 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.36 -39.23 48.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.358 -0.839 . . . . 0.0 110.096 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.85 -36.43 83.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.388 -0.82 . . . . 0.0 110.226 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.61 -16.05 57.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.858 . . . . 0.0 110.436 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.4 m -57.8 -25.9 61.21 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.251 -0.905 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 13.7 mttp . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.22 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.201 0.524 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -98.84 -63.84 1.09 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.44 -0.787 . . . . 0.0 110.171 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -139.75 156.34 46.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.361 -0.837 . . . . 0.0 110.233 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.37 135.78 55.71 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.313 -0.867 . . . . 0.0 110.203 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.5 p -85.66 173.61 10.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.391 -0.818 . . . . 0.0 110.029 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -61.87 -38.6 88.89 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.286 -0.884 . . . . 0.0 110.195 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -62.84 -47.61 82.63 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.304 -0.873 . . . . 0.0 110.082 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.2 mt-30 -63.91 -44.73 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.833 . . . . 0.0 110.057 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.7 mt -62.5 -28.12 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.368 -0.833 . . . . 0.0 109.959 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.48 -40.87 69.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.333 -0.854 . . . . 0.0 110.062 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -65.05 -47.98 75.43 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.073 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 22.9 m-85 -59.9 -40.03 87.41 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.34 -0.85 . . . . 0.0 110.026 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -61.6 -39.52 91.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.481 -0.762 . . . . 0.0 110.203 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -60.72 -56.74 17.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 110.172 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.21 71.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.405 -0.81 . . . . 0.0 110.09 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CE1' HG22 ' A' ' 27' ' ' ILE . 9.0 t80 -69.45 -47.82 62.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.293 -0.879 . . . . 0.0 110.162 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.1 -28.86 69.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.374 -0.829 . . . . 0.0 110.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mt -61.43 -29.45 69.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.394 -0.816 . . . . 0.0 110.205 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -110.64 30.03 7.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.231 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -113.98 143.07 45.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.301 -0.874 . . . . 0.0 110.015 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -90.47 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.399 -0.813 . . . . 0.0 110.201 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -175.79 35.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.973 -1.079 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -151.48 -66.19 0.18 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.32 -0.863 . . . . 0.0 110.335 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.15 127.84 53.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.297 -0.877 . . . . 0.0 110.213 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.52 82.01 0.21 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -144.62 137.21 26.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.349 -1.089 . . . . 0.0 110.291 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.432 HG22 ' CE1' ' A' ' 16' ' ' PHE . 42.8 pt -125.22 157.99 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.377 -0.827 . . . . 0.0 110.222 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 m -79.97 158.25 26.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 0.0 110.199 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -62.22 -32.14 72.77 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.335 -0.853 . . . . 0.0 110.216 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -62.3 -31.19 71.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.398 -0.813 . . . . 0.0 110.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -83.39 -20.26 34.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.397 -0.814 . . . . 0.0 110.29 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 tp -53.59 -50.98 64.46 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.279 -0.888 . . . . 0.0 110.341 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.63 89.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.265 -0.897 . . . . 0.0 110.067 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 m -68.67 -39.07 80.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.361 -0.837 . . . . 0.0 109.916 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.4 t -62.78 -38.13 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.417 -0.802 . . . . 0.0 109.908 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.2 mtt -71.31 -30.18 65.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.352 -0.842 . . . . 0.0 109.878 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -67.5 -36.74 81.66 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.378 -0.826 . . . . 0.0 110.027 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.2 m -80.15 -32.86 38.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.838 . . . . 0.0 110.146 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.46 -24.94 67.72 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.34 -0.85 . . . . 0.0 110.272 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.91 33.43 1.53 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.2 mt -120.45 179.25 4.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.377 -1.072 . . . . 0.0 110.227 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 p -167.72 68.21 0.85 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.826 . . . . 0.0 110.169 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.92 137.3 24.13 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 O-C-N 123.742 1.391 . . . . 0.0 110.462 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.07 176.05 1.39 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.375 -0.828 . . . . 0.0 110.076 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.57 -28.94 69.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.403 -0.81 . . . . 0.0 110.173 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.53 74.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.362 -0.836 . . . . 0.0 110.005 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -68.76 -34.58 75.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.45 -0.781 . . . . 0.0 109.955 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.7 t -69.61 -40.52 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.789 . . . . 0.0 109.873 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.96 -36.78 85.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.444 -0.785 . . . . 0.0 109.962 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -63.87 -48.75 75.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.328 -0.857 . . . . 0.0 109.976 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.06 -43.94 90.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 mtt -68.95 -26.61 65.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 0.0 109.969 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -69.37 -37.93 77.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.334 -0.854 . . . . 0.0 109.971 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -76.97 -28.29 55.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.395 -0.815 . . . . 0.0 110.09 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.407 HG23 ' CD2' ' A' ' 61' ' ' HIS . 3.9 mt -94.02 -62.49 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.376 -0.827 . . . . 0.0 110.006 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.23 104.55 0.33 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.359 -0.838 . . . . 0.0 110.22 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.2 t -94.7 -50.83 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.374 -0.829 . . . . 0.0 110.15 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -113.23 -62.96 1.51 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.281 -0.887 . . . . 0.0 110.332 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.49 -56.56 0.02 OUTLIER Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -123.71 128.75 50.07 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.434 -1.039 . . . . 0.0 110.314 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.407 ' CD2' HG23 ' A' ' 55' ' ' ILE . 5.2 t60 -127.34 123.74 37.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.439 -0.788 . . . . 0.0 109.918 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.99 118.88 22.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.327 -0.858 . . . . 0.0 110.255 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.427 HG21 HD13 ' A' ' 63' ' ' ILE . 98.0 mt -91.26 122.23 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.422 -0.799 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.77 160.15 20.31 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.37 -0.831 . . . . 0.0 109.849 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -56.76 -34.34 67.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.25 -0.906 . . . . 0.0 110.315 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 p -61.82 -57.76 10.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.334 -0.854 . . . . 0.0 110.015 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.83 -31.61 72.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 109.934 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -63.1 -48.58 77.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.43 -0.793 . . . . 0.0 109.993 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.08 -38.65 83.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.33 -0.856 . . . . 0.0 109.884 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.99 89.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.43 -0.794 . . . . 0.0 109.76 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.91 -45.96 90.05 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.357 -0.84 . . . . 0.0 109.919 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.428 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 97.1 mmm -62.25 -33.49 74.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 0.0 109.609 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -44.2 97.63 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.349 -0.845 . . . . 0.0 109.763 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -63.87 -39.02 93.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.394 -0.816 . . . . 0.0 109.514 179.493 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.403 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 2.1 mm100 -73.15 -43.07 62.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.479 -0.763 . . . . 0.0 109.657 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.5 46.48 1.25 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.407 -0.808 . . . . 0.0 109.842 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -158.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.358 -0.839 . . . . 0.0 110.408 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 m -60.4 89.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.456 -0.778 . . . . 0.0 110.392 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -92.83 106.13 18.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 110.031 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -97.38 -5.01 37.31 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.423 -0.798 . . . . 0.0 110.685 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.6 t -59.98 -70.46 0.17 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.949 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -60.0 -32.6 71.01 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.349 -0.844 . . . . 0.0 110.369 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.411 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 30.1 mt-30 -70.35 -40.79 73.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.317 -0.865 . . . . 0.0 110.027 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -60.07 -40.28 88.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.352 -0.843 . . . . 0.0 109.989 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.26 -51.42 66.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.387 -0.821 . . . . 0.0 109.814 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.26 -29.79 70.6 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.366 -0.834 . . . . 0.0 109.807 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -76.53 -43.14 40.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.451 -0.78 . . . . 0.0 110.108 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.41 -48.33 75.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.333 -0.854 . . . . 0.0 110.213 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.422 ' CD1' HG21 ' A' ' 137' ' ' ILE . 16.4 m-85 -62.74 -37.83 88.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.162 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -61.77 -43.37 98.98 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.333 -0.854 . . . . 0.0 110.076 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.3 -35.9 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.38 -0.825 . . . . 0.0 109.966 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -74.45 -35.74 63.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.109 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' ASN . 24.7 t0 -62.52 -27.54 69.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.404 -0.81 . . . . 0.0 110.217 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.15 -65.36 0.19 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.55 -0.719 . . . . 0.0 110.526 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' ASP . 3.2 m-80 -54.19 -55.2 30.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.291 -0.881 . . . . 0.0 110.433 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.46 -21.51 5.69 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.75 -62.9 1.38 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.295 -1.121 . . . . 0.0 110.392 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.85 56.99 0.11 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mt -142.64 125.18 15.75 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.366 -1.079 . . . . 0.0 110.222 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.8 pt -140.0 160.06 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -0.852 . . . . 0.0 110.368 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.98 160.35 25.94 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.329 -0.857 . . . . 0.0 110.137 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.74 -28.37 21.85 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.409 -0.807 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.13 -53.26 39.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.136 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -61.11 -38.04 84.91 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.365 -0.835 . . . . 0.0 110.071 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.426 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 5.1 tp -62.22 -36.9 83.38 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.407 -0.808 . . . . 0.0 110.065 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -71.32 -42.78 68.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.46 -0.775 . . . . 0.0 110.133 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -66.0 -28.29 68.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.253 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.1 t -79.96 -45.66 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.335 -0.853 . . . . 0.0 110.173 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -29.9 68.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.395 -0.815 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.8 m -78.16 -32.53 50.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.0 m -77.02 -37.56 54.74 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.354 -0.841 . . . . 0.0 110.162 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 57.7 mt -62.0 -26.09 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.288 -0.882 . . . . 0.0 110.226 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.95 38.75 22.25 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.29 -6.36 49.43 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.401 -1.058 . . . . 0.0 110.542 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? 54.63 44.37 28.75 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.157 -0.965 . . . . 0.0 110.412 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 16.0 mt -104.33 124.17 48.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.322 -0.861 . . . . 0.0 110.213 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.9 p -70.32 167.18 18.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 0.0 110.256 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.44 -27.63 69.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.384 -0.822 . . . . 0.0 110.149 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.77 -47.69 84.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.355 -0.841 . . . . 0.0 110.177 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.65 -48.16 80.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.425 -0.797 . . . . 0.0 110.084 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.78 -34.1 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 109.951 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -67.44 -45.25 76.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.369 -0.832 . . . . 0.0 110.032 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.72 -28.59 66.97 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.403 -0.81 . . . . 0.0 110.084 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.9 mtp -79.7 -34.72 39.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.374 -0.829 . . . . 0.0 110.099 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 mt -66.19 -41.27 90.45 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.36 -0.837 . . . . 0.0 110.169 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -66.01 -38.09 87.55 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.327 -0.858 . . . . 0.0 110.25 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.95 -36.3 36.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.31 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 73.4 t -83.23 -60.3 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.32 -0.863 . . . . 0.0 110.112 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 t -61.23 117.77 6.02 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.368 -0.832 . . . . 0.0 110.278 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.25 30.23 1.14 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.391 -0.818 . . . . 0.0 110.126 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -128.25 -94.21 0.8 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -134.39 -71.8 0.49 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.377 -1.072 . . . . 0.0 110.173 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.94 30.29 1.51 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -137.3 132.98 34.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -1.038 . . . . 0.0 110.169 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 85.0 mt -122.22 152.53 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.399 -0.813 . . . . 0.0 110.124 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.95 123.46 31.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.421 -0.799 . . . . 0.0 110.126 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.422 HG21 ' CD1' ' A' ' 89' ' ' PHE . 1.1 pt -63.26 -21.17 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.347 -0.846 . . . . 0.0 110.398 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.58 -39.82 84.84 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.256 -0.903 . . . . 0.0 110.178 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.17 -42.85 79.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.88 . . . . 0.0 110.136 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.426 ' CZ ' HD23 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -67.52 -33.86 75.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.38 -0.825 . . . . 0.0 110.066 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.9 -35.05 77.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.388 -0.82 . . . . 0.0 110.149 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.33 61.89 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.405 -0.809 . . . . 0.0 110.092 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.43 -37.79 74.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.806 . . . . 0.0 110.113 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.86 -64.3 1.22 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.315 -0.865 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.8 t 52.29 -159.06 0.12 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.434 -0.791 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.2 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.143 0.497 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -119.05 151.32 38.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.397 -0.815 . . . . 0.0 110.148 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -149.15 166.93 27.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.332 -0.855 . . . . 0.0 110.14 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 40.4 mt -80.59 127.53 32.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.84 . . . . 0.0 110.265 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.7 p -86.28 179.36 6.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.388 -0.82 . . . . 0.0 109.991 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.37 -36.21 81.57 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.852 . . . . 0.0 110.119 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.83 -46.01 80.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -66.57 -44.52 82.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.406 -0.809 . . . . 0.0 110.056 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.51 -29.8 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 109.84 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.62 75.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.375 -0.828 . . . . 0.0 109.853 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -65.18 -50.37 66.2 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.756 . . . . 0.0 109.983 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.414 ' CE1' ' HE1' ' A' ' 72' ' ' MET . 25.3 m-85 -60.07 -33.39 72.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.332 -0.855 . . . . 0.0 109.99 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.48 -44.54 96.15 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.356 -0.84 . . . . 0.0 110.017 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.57 -47.08 87.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.34 -0.85 . . . . 0.0 110.04 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.69 -36.49 78.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.349 -0.845 . . . . 0.0 109.94 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CE1' HG21 ' A' ' 27' ' ' ILE . 4.6 t80 -67.28 -48.98 66.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.414 -0.804 . . . . 0.0 110.079 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -28.5 69.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.16 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.23 -26.79 68.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.388 -0.82 . . . . 0.0 110.246 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CZ ' HG21 ' A' ' 34' ' ' THR . 82.7 m-85 -116.18 33.16 5.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.352 -0.843 . . . . 0.0 110.217 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -107.79 169.98 8.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.384 -0.823 . . . . 0.0 109.922 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -68.33 -83.24 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.367 -0.833 . . . . 0.0 110.058 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -173.97 29.47 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.176 -0.953 . . . . 0.0 110.5 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -173.27 -64.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.16 -0.962 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -67.27 177.52 1.82 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.39 -0.819 . . . . 0.0 110.286 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.58 59.81 0.56 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -134.82 141.08 46.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.352 -1.087 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.43 HG21 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -124.51 159.79 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.375 -0.828 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.1 m -83.89 160.15 21.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.858 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -60.22 -39.44 86.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.388 -0.82 . . . . 0.0 110.434 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -27.75 60.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.277 -0.889 . . . . 0.0 110.391 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -91.59 -17.15 26.02 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.357 -0.84 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.8 tp -54.99 -58.69 6.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.202 -0.936 . . . . 0.0 110.405 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.28 67.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.233 -0.917 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.433 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 34.8 m -70.23 -37.7 75.04 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.385 -0.822 . . . . 0.0 110.087 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.22 -38.59 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 0.0 109.834 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.7 mtt -70.4 -36.64 74.18 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.334 -0.854 . . . . 0.0 109.801 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.1 mtp85 -65.69 -35.16 79.96 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.481 -0.762 . . . . 0.0 110.11 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.76 -33.44 40.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.46 -0.775 . . . . 0.0 110.259 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.49 -26.37 67.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.423 -0.798 . . . . 0.0 110.133 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.39 35.65 0.69 Allowed Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.0 mt -124.89 178.71 5.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.273 -1.134 . . . . 0.0 110.076 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -167.45 67.16 0.85 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.354 -0.841 . . . . 0.0 110.249 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.16 138.5 27.98 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.726 1.382 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.34 168.9 1.85 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.302 -0.874 . . . . 0.0 110.161 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.81 -28.45 67.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.238 -0.914 . . . . 0.0 110.177 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.26 76.61 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.375 -0.828 . . . . 0.0 110.064 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.13 -40.59 94.68 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.403 -0.81 . . . . 0.0 109.965 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.17 -39.65 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.339 -0.851 . . . . 0.0 110.005 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.02 -41.79 97.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.408 -0.808 . . . . 0.0 110.094 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -60.57 -49.59 76.94 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.382 -0.824 . . . . 0.0 110.122 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.18 -41.11 98.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.273 -0.892 . . . . 0.0 110.08 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.1 mtt -70.12 -28.02 65.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.414 -0.804 . . . . 0.0 109.991 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -68.68 -35.86 77.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.3 -0.875 . . . . 0.0 109.903 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -80.57 -28.62 37.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.36 -0.838 . . . . 0.0 109.953 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.423 HG23 ' CD2' ' A' ' 61' ' ' HIS . 28.8 mt -94.71 -65.0 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.376 -0.827 . . . . 0.0 109.983 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.47 105.61 0.45 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.424 -0.797 . . . . 0.0 110.271 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.8 t -93.95 -55.71 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.325 -0.859 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -101.63 -27.27 13.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.407 -0.808 . . . . 0.0 110.289 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.88 -29.72 1.13 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -127.27 85.26 2.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.355 -1.085 . . . . 0.0 110.269 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.423 ' CD2' HG23 ' A' ' 55' ' ' ILE . 6.7 t60 -105.78 133.97 49.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.317 -0.865 . . . . 0.0 110.098 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -95.18 112.68 24.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.43 -0.793 . . . . 0.0 110.223 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.9 mt -79.84 135.02 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.873 . . . . 0.0 110.114 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.11 160.04 15.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.371 -0.831 . . . . 0.0 110.144 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' HD12 ' A' ' 69' ' ' LEU . 22.0 t80 -59.38 -26.46 65.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.39 -0.819 . . . . 0.0 110.375 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 t -72.49 -51.06 21.73 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.257 -0.902 . . . . 0.0 110.176 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.07 -32.2 73.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.374 -0.829 . . . . 0.0 110.126 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.24 -48.96 71.44 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.302 -0.873 . . . . 0.0 110.12 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.419 HD12 ' CE2' ' A' ' 65' ' ' PHE . 62.9 mt -60.16 -40.9 91.52 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.084 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.32 73.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.326 -0.859 . . . . 0.0 110.055 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.4 mt -65.42 -34.63 78.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.369 -0.832 . . . . 0.0 109.972 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.414 ' HE1' ' CE1' ' A' ' 12' ' ' PHE . 76.0 mmm -66.88 -42.09 86.17 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.389 -0.82 . . . . 0.0 110.113 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -43.37 98.99 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.313 -0.867 . . . . 0.0 110.162 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -67.72 -26.54 66.21 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.344 -0.847 . . . . 0.0 110.146 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -85.87 -46.2 10.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.379 -0.826 . . . . 0.0 110.23 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mt -64.39 -78.64 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.338 -0.851 . . . . 0.0 110.086 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 tptp 50.32 54.38 11.23 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.282 -0.886 . . . . 0.0 110.675 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.2 p -60.89 147.78 41.85 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.318 -0.864 . . . . 0.0 110.133 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -82.07 57.62 3.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.346 -0.846 . . . . 0.0 110.233 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t70 52.12 -175.11 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.27 -0.894 . . . . 0.0 110.474 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.78 -9.88 59.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.399 -0.813 . . . . 0.0 110.537 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -55.63 -55.29 33.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.178 -0.951 . . . . 0.0 110.433 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -55.31 -41.91 73.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.342 -0.849 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.87 -36.44 80.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.364 -0.835 . . . . 0.0 109.796 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.4 mt -69.81 -44.7 69.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.451 -0.78 . . . . 0.0 109.823 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.67 -30.91 71.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 0.0 109.922 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.8 -50.1 63.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 109.877 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.87 89.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.399 -0.813 . . . . 0.0 109.993 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -61.07 -36.12 78.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.428 -0.795 . . . . 0.0 109.994 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -61.94 -45.44 93.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.398 -0.814 . . . . 0.0 109.909 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.05 -32.58 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.395 -0.816 . . . . 0.0 109.878 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.19 -30.61 54.88 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.437 -0.789 . . . . 0.0 110.134 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 1.0 OUTLIER -63.69 -42.87 97.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.369 -0.832 . . . . 0.0 110.24 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 93' ' ' ASP . 11.7 tptt 67.6 -61.38 0.36 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.528 -0.733 . . . . 0.0 110.721 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -50.5 -33.05 19.97 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.174 -0.954 . . . . 0.0 110.705 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.31 -48.98 0.9 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -57.11 -175.58 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.229 -1.159 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -116.95 68.91 0.29 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mt -146.94 124.41 11.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -1.103 . . . . 0.0 110.203 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.6 pt -139.44 160.28 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.394 -0.816 . . . . 0.0 110.237 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.6 160.27 26.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.395 -0.816 . . . . 0.0 110.248 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.25 -30.33 27.21 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.357 -0.84 . . . . 0.0 110.485 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.15 -52.29 56.02 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.304 -0.873 . . . . 0.0 110.065 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -63.47 -28.82 70.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 0.0 110.052 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.419 ' CD2' ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -71.04 -42.32 69.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.342 -0.849 . . . . 0.0 110.17 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -39.38 93.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 0.0 110.181 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.65 -37.08 85.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.349 -0.845 . . . . 0.0 110.203 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.64 -44.97 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.355 -0.841 . . . . 0.0 110.078 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -30.75 70.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.315 -0.865 . . . . 0.0 110.172 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -79.58 -29.68 41.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.327 -0.858 . . . . 0.0 110.16 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -75.82 -38.48 58.08 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.354 -0.842 . . . . 0.0 110.212 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.13 -25.23 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.392 -0.817 . . . . 0.0 110.137 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.58 28.54 47.09 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.26 150.2 46.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.388 -1.066 . . . . 0.0 110.184 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.36 64.33 6.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.325 -0.859 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 39.1 mt -123.22 132.67 54.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.332 -0.855 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 42.1 p -81.97 179.21 7.9 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.434 -0.791 . . . . 0.0 110.223 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -27.43 64.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.353 -0.842 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.77 77.76 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.373 -0.83 . . . . 0.0 110.177 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.61 -49.3 60.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.382 -0.824 . . . . 0.0 110.126 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.31 -31.03 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.359 -0.838 . . . . 0.0 110.129 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.31 -44.17 75.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.389 -0.819 . . . . 0.0 110.124 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -71.99 -35.16 69.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.415 -0.803 . . . . 0.0 110.116 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.405 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 1.1 ttp -72.52 -28.36 62.81 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.38 -0.825 . . . . 0.0 110.155 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.7 mt -73.72 -44.26 56.91 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.306 -0.871 . . . . 0.0 110.055 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -27.85 69.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.353 -0.842 . . . . 0.0 110.16 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.97 -24.86 40.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.332 -0.855 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 52.3 t -108.22 -63.27 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.292 -0.88 . . . . 0.0 110.189 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -157.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.381 -0.825 . . . . 0.0 110.281 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.0 t70 53.8 39.92 30.91 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.305 -0.872 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -134.44 -83.95 0.2 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.6 m -99.51 -41.88 7.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.302 -1.117 . . . . 0.0 110.241 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 158.92 -73.78 0.22 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -80.37 154.78 27.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.407 -1.055 . . . . 0.0 110.223 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 85.9 mt -104.26 146.31 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.447 -0.783 . . . . 0.0 110.243 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.34 132.43 34.95 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.36 -0.838 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 pt -69.27 -21.76 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 110.371 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -64.62 -42.23 95.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.292 -0.88 . . . . 0.0 110.152 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -70.26 -42.24 72.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 110.203 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.419 ' CZ ' ' CD2' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -67.58 -45.66 74.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.3 -0.875 . . . . 0.0 110.03 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.92 -28.55 70.14 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.344 -0.848 . . . . 0.0 110.124 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.36 -29.19 53.22 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.338 -0.851 . . . . 0.0 110.161 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.43 -32.87 62.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.427 -0.796 . . . . 0.0 110.19 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 88.4 mt -79.79 -20.09 47.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.456 -0.777 . . . . 0.0 110.397 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.9 t -58.27 -48.77 79.41 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.209 -0.932 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.5 tttm . . . . . 0 N--CA 1.495 1.809 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.462 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.204 0.526 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -164.19 50.32 0.13 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.305 -0.872 . . . . 0.0 110.223 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 57.44 104.95 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.426 -0.796 . . . . 0.0 110.506 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mt -54.14 137.74 39.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.296 -0.877 . . . . 0.0 110.464 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.0 p -79.61 175.13 10.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.373 -0.829 . . . . 0.0 110.111 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -62.22 -38.27 88.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.372 -0.83 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -61.08 -51.38 69.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.403 -0.811 . . . . 0.0 110.067 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 14.3 mm100 -62.75 -46.1 89.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.414 -0.804 . . . . 0.0 110.136 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.63 -29.82 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.287 -0.883 . . . . 0.0 109.986 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.02 88.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.395 -0.816 . . . . 0.0 110.114 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.85 -48.56 78.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.419 -0.8 . . . . 0.0 110.212 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.425 ' CD1' ' HE2' ' A' ' 72' ' ' MET . 26.7 m-85 -60.58 -40.97 93.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.397 -0.814 . . . . 0.0 110.191 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -58.7 -37.24 75.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.309 -0.87 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.19 -55.27 19.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.372 -0.83 . . . . 0.0 110.084 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.92 -32.39 74.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.33 -0.856 . . . . 0.0 110.181 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CE1' HG21 ' A' ' 27' ' ' ILE . 7.6 t80 -68.95 -51.29 41.22 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.368 -0.832 . . . . 0.0 110.187 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.54 67.32 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.415 -0.803 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.17 -25.38 68.05 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.454 -0.779 . . . . 0.0 110.428 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.421 ' CZ ' HG22 ' A' ' 34' ' ' THR . 76.7 m-85 -116.5 32.17 6.29 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.221 -0.924 . . . . 0.0 110.44 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -117.97 -78.46 0.58 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.287 -0.883 . . . . 0.0 110.184 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? 50.45 39.73 21.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.298 -0.877 . . . . 0.0 110.777 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -110.49 -91.37 0.46 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.236 -0.915 . . . . 0.0 110.234 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -173.62 32.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.108 -0.995 . . . . 0.0 110.269 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -170.36 -73.1 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.307 -0.871 . . . . 0.0 110.243 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.54 63.57 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 m -141.27 141.25 33.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.34 -1.094 . . . . 0.0 110.197 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.415 HG21 ' CE1' ' A' ' 16' ' ' PHE . 45.0 pt -125.31 157.37 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.447 -0.783 . . . . 0.0 110.274 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 m -83.21 156.95 22.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -0.894 . . . . 0.0 110.172 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -60.63 -28.24 68.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.352 -0.842 . . . . 0.0 110.198 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.0 p -61.71 -29.14 69.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.438 -0.789 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -94.72 -14.01 25.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.365 -0.834 . . . . 0.0 110.536 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.03 -44.55 78.87 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.234 -0.916 . . . . 0.0 110.455 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.46 -45.8 92.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.346 -0.846 . . . . 0.0 110.203 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.421 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 49.6 m -64.63 -36.17 83.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.378 -0.826 . . . . 0.0 110.019 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.09 -39.42 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.38 -0.825 . . . . 0.0 109.908 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.3 mtt -69.76 -35.14 74.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.368 -0.832 . . . . 0.0 109.937 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -68.53 -40.31 80.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.426 -0.796 . . . . 0.0 110.214 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.5 m -68.22 -35.02 77.31 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.798 . . . . 0.0 110.163 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.04 -33.75 76.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.485 -0.76 . . . . 0.0 110.062 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.62 -9.94 2.9 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -78.78 178.99 7.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.247 -1.149 . . . . 0.0 110.106 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -167.9 58.27 0.4 Allowed Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.311 -0.868 . . . . 0.0 110.286 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.99 137.18 26.2 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 O-C-N 123.79 1.416 . . . . 0.0 110.368 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -60.5 171.04 1.19 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.352 -0.842 . . . . 0.0 110.15 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -29.61 67.6 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 110.216 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.89 85.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.418 -0.801 . . . . 0.0 110.04 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -65.34 -42.01 93.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.052 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.26 -37.17 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.411 -0.806 . . . . 0.0 109.98 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.09 -39.9 96.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.386 -0.821 . . . . 0.0 109.951 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -62.26 -50.63 70.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.371 -0.831 . . . . 0.0 110.05 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.64 -42.18 98.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.354 -0.841 . . . . 0.0 109.996 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.0 mtt -66.77 -41.9 86.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.372 -0.83 . . . . 0.0 110.061 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -60.72 -28.03 68.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.378 -0.826 . . . . 0.0 110.08 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -82.03 -27.92 32.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.344 -0.848 . . . . 0.0 109.888 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.433 HG21 ' CD2' ' A' ' 61' ' ' HIS . 3.9 mt -84.24 -56.01 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.41 -0.806 . . . . 0.0 110.046 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -56.01 146.82 21.41 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.244 -0.91 . . . . 0.0 110.56 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.7 t -141.98 -59.8 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.386 -0.821 . . . . 0.0 110.094 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -98.15 -42.93 7.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.445 -0.784 . . . . 0.0 110.18 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.3 -78.92 0.05 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -100.24 97.19 8.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.41 -1.053 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.433 ' CD2' HG21 ' A' ' 55' ' ' ILE . 5.3 t60 -98.21 114.05 26.17 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.384 -0.822 . . . . 0.0 110.228 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -84.15 121.95 28.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.314 -0.866 . . . . 0.0 109.904 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.8 mt -79.7 132.94 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.305 -0.872 . . . . 0.0 110.1 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -94.41 160.14 14.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.456 -0.777 . . . . 0.0 110.123 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CE2' HD13 ' A' ' 69' ' ' LEU . 16.8 t80 -57.73 -27.89 63.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.262 -0.899 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -69.91 -51.73 30.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.364 -0.835 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.87 -35.35 79.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.383 -0.823 . . . . 0.0 110.058 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -64.41 -46.27 84.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.363 -0.836 . . . . 0.0 110.155 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD13 ' CE2' ' A' ' 65' ' ' PHE . 54.1 mt -60.67 -40.79 93.44 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.401 -0.812 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.47 -43.13 73.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.304 -0.872 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.31 -33.85 76.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.361 -0.837 . . . . 0.0 110.187 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.425 ' HE2' ' CD1' ' A' ' 12' ' ' PHE . 77.8 mmm -71.68 -35.59 70.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.397 -0.814 . . . . 0.0 110.171 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 55.0 p -66.46 -37.06 84.3 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.329 -0.857 . . . . 0.0 110.115 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -69.93 -34.75 73.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.387 -0.821 . . . . 0.0 110.179 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -87.39 -28.97 21.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.345 -0.847 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.91 -41.41 97.88 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.393 -0.817 . . . . 0.0 110.2 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 -166.33 1.39 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.339 -0.85 . . . . 0.0 110.14 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.6 m -151.02 42.78 0.78 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.366 -0.834 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -105.3 155.03 19.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.478 -0.764 . . . . 0.0 110.198 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.07 158.31 44.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.301 -0.874 . . . . 0.0 110.222 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -78.96 -14.73 59.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.502 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -56.58 -56.98 14.53 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.235 -0.916 . . . . 0.0 110.389 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.49 -30.36 68.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.378 -0.826 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -69.26 -41.18 77.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.824 . . . . 0.0 110.163 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.54 -44.22 78.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.378 -0.826 . . . . 0.0 110.102 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.88 -27.15 68.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.437 -0.79 . . . . 0.0 110.217 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -43.15 66.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.369 -0.832 . . . . 0.0 110.186 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.68 -46.26 72.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.373 -0.829 . . . . 0.0 110.177 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -63.1 -34.49 77.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.372 -0.83 . . . . 0.0 110.193 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -66.74 -38.94 87.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.346 -0.846 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.7 t -65.97 -36.38 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.37 -0.831 . . . . 0.0 110.109 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.421 ' CE2' HG21 ' A' ' 108' ' ' VAL . 7.9 m-85 -69.37 -30.28 68.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.337 -0.852 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.6 141.75 40.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -106.74 -44.36 4.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.365 -0.834 . . . . 0.0 110.152 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -58.4 -41.36 84.73 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.343 -0.848 . . . . 0.0 110.19 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.82 -42.15 1.49 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.5 150.34 44.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.345 -1.091 . . . . 0.0 110.232 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.01 83.66 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.1 mt -146.32 111.36 5.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.376 -1.073 . . . . 0.0 110.224 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.7 pt -139.11 160.3 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.304 -0.873 . . . . 0.0 110.225 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -79.74 160.17 26.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.229 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.58 -33.67 60.66 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.36 -0.838 . . . . 0.0 110.394 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.1 -53.25 58.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.258 -0.901 . . . . 0.0 110.115 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -62.55 -28.83 70.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.361 -0.837 . . . . 0.0 109.971 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.415 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -70.25 -43.93 69.54 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.353 -0.842 . . . . 0.0 110.041 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.95 -40.51 91.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.359 -0.838 . . . . 0.0 110.081 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -62.27 -36.48 82.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.099 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.421 HG21 ' CE2' ' A' ' 92' ' ' PHE . 92.9 t -71.77 -37.17 61.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.437 -0.789 . . . . 0.0 110.085 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.65 -35.21 78.88 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.362 -0.836 . . . . 0.0 110.257 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.0 m -75.0 -36.08 61.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -68.13 -40.75 82.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.364 -0.835 . . . . 0.0 110.125 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 63.8 mt -62.11 -26.18 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.317 -0.865 . . . . 0.0 110.136 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.33 30.92 26.49 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.65 130.16 39.02 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.362 -1.081 . . . . 0.0 110.156 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 64.25 4.68 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.384 -0.822 . . . . 0.0 110.264 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.4 mt -111.74 131.82 55.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.886 . . . . 0.0 110.25 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.8 p -73.14 -178.82 3.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.377 -0.827 . . . . 0.0 110.109 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.46 -33.34 54.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 0.0 110.133 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.37 83.72 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.308 -0.87 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.4 -52.09 63.06 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 110.121 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.23 -25.6 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.379 -0.825 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.47 -49.22 23.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.344 -0.847 . . . . 0.0 110.03 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -69.07 -33.21 73.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.459 -0.776 . . . . 0.0 110.066 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.427 ' HE3' ' CE1' ' A' ' 140' ' ' PHE . 2.7 ttp -75.63 -28.4 58.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.403 -0.811 . . . . 0.0 110.158 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.7 mt -72.57 -39.86 67.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.406 -0.809 . . . . 0.0 110.265 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -66.4 -33.01 74.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.368 -0.833 . . . . 0.0 110.237 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -80.0 -30.9 39.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.322 -0.862 . . . . 0.0 110.374 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.8 t -89.41 -35.65 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 110.152 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 t -75.02 64.51 1.34 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.2 -27.24 63.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.352 -0.843 . . . . 0.0 110.187 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -97.23 -114.29 3.18 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.66 -38.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -1.11 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -60.41 -100.71 0.01 OUTLIER Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -108.08 159.58 16.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.31 -1.111 . . . . 0.0 110.321 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 74.2 mt -101.41 155.29 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.358 -0.839 . . . . 0.0 110.158 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.02 122.56 35.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.436 -0.79 . . . . 0.0 110.095 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 8.7 pt -61.9 -20.48 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.362 -0.836 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -43.0 97.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.233 -0.917 . . . . 0.0 110.142 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -71.04 -43.71 67.3 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.318 -0.864 . . . . 0.0 110.04 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.427 ' CE1' ' HE3' ' A' ' 124' ' ' MET . 0.3 OUTLIER -67.27 -44.38 79.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.298 -0.876 . . . . 0.0 109.936 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.34 75.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.445 -0.785 . . . . 0.0 110.099 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.77 89.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.317 -0.864 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.03 -38.01 82.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.429 -0.795 . . . . 0.0 110.063 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.44 -25.17 45.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.437 -0.789 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t -60.19 90.59 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.338 -0.851 . . . . 0.0 110.231 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.21 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.142 0.496 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -68.94 -88.21 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.382 -0.824 . . . . 0.0 110.154 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 49.26 -169.28 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.118 -0.989 . . . . 0.0 110.656 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 1.1 mp -51.1 175.35 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.509 -0.745 . . . . 0.0 110.613 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p -91.35 166.34 12.95 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.433 -0.792 . . . . 0.0 109.774 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.77 -35.43 72.77 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.212 -0.93 . . . . 0.0 110.234 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.54 -55.72 21.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 109.759 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -62.54 -42.16 99.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 109.946 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.426 ' CG1' ' HB2' ' A' ' 4' ' ' LEU . 78.5 mt -68.94 -32.85 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 0.0 109.664 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.06 -36.75 82.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.459 -0.776 . . . . 0.0 109.741 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.59 -48.11 56.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.365 -0.834 . . . . 0.0 109.986 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.49 -41.12 96.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 0.0 109.924 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 10.0 ttmt -59.99 -41.49 92.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.393 -0.817 . . . . 0.0 110.37 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.35 -55.43 33.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.346 -0.847 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.66 71.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.308 -0.87 . . . . 0.0 110.204 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -72.58 -38.14 67.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.354 -0.841 . . . . 0.0 110.225 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.18 -28.97 65.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.395 -0.816 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 mt -61.76 -25.88 67.73 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.869 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.427 ' CZ ' HG21 ' A' ' 34' ' ' THR . 93.8 m-85 -116.49 33.36 5.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.333 -0.854 . . . . 0.0 110.264 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -124.06 77.74 1.57 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.86 . . . . 0.0 110.42 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -132.09 62.8 1.63 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.365 -0.835 . . . . 0.0 109.89 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -157.52 -38.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.356 -0.84 . . . . 0.0 110.507 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.27 -77.9 0.59 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.242 -0.911 . . . . 0.0 110.393 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -167.99 -62.01 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.213 -0.93 . . . . 0.0 110.396 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.4 57.4 0.56 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.21 132.46 12.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.367 -1.079 . . . . 0.0 109.976 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 pt -116.93 159.57 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.346 -0.846 . . . . 0.0 110.305 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -88.56 160.09 17.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.428 -0.795 . . . . 0.0 110.213 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.15 -37.23 76.8 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.371 -0.831 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -55.57 -27.0 46.66 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.391 -0.818 . . . . 0.0 110.333 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -98.6 -16.28 19.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.351 -0.843 . . . . 0.0 110.315 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.2 tp -57.56 -51.54 69.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.317 -0.865 . . . . 0.0 110.357 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.13 74.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.345 -0.847 . . . . 0.0 110.106 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.427 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 64.2 m -69.09 -36.74 77.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.342 -0.849 . . . . 0.0 110.082 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.89 -37.53 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 0.0 109.949 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.2 mtt -69.89 -37.68 76.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.419 -0.801 . . . . 0.0 109.914 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -62.9 -37.55 87.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.374 -0.829 . . . . 0.0 110.13 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -78.16 -32.06 50.0 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.366 -0.834 . . . . 0.0 110.091 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.99 -22.78 64.98 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.379 -0.826 . . . . 0.0 110.184 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.54 34.52 0.92 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.0 mt -125.92 175.79 7.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.324 -1.104 . . . . 0.0 110.323 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -168.18 62.65 0.56 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.464 -0.772 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.62 139.73 31.56 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.811 1.427 . . . . 0.0 110.49 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 m -62.58 169.14 3.2 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.396 -0.815 . . . . 0.0 110.027 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -28.18 65.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.336 -0.853 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.35 76.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.044 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.02 -42.12 94.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.0 110.042 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.42 -39.23 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.389 -0.819 . . . . 0.0 109.966 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -61.27 -42.21 98.24 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.506 -0.746 . . . . 0.0 110.069 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.53 -49.33 78.21 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.444 -0.785 . . . . 0.0 110.207 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.97 -44.94 91.2 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.263 -0.898 . . . . 0.0 110.132 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.8 mtt -64.51 -28.82 69.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 110.057 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -68.19 -41.98 80.62 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.085 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.72 -30.73 68.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.157 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.43 HG22 ' CD2' ' A' ' 61' ' ' HIS . 11.8 mt -88.3 -55.61 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.1 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.75 67.97 0.26 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.444 -0.785 . . . . 0.0 110.337 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.89 -69.93 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.377 -0.827 . . . . 0.0 109.915 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -85.22 -144.6 0.1 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.426 -0.796 . . . . 0.0 109.745 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.77 11.62 68.21 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -171.16 140.77 1.54 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.126 -1.22 . . . . 0.0 110.492 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.43 ' CD2' HG22 ' A' ' 55' ' ' ILE . 4.4 t60 -167.54 106.67 0.56 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.394 -0.817 . . . . 0.0 110.086 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -82.01 138.19 34.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.342 -0.849 . . . . 0.0 110.197 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.8 mt -90.18 121.2 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.37 -0.831 . . . . 0.0 110.129 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.86 160.2 18.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.392 -0.817 . . . . 0.0 110.02 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 13.6 t80 -56.06 -26.3 48.69 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.365 -0.835 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -71.66 -51.08 24.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.353 -0.842 . . . . 0.0 109.978 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.02 -35.6 80.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.386 -0.821 . . . . 0.0 110.017 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -62.12 -50.71 70.81 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.446 -0.784 . . . . 0.0 109.954 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 65' ' ' PHE . 55.4 mt -58.89 -37.09 75.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 110.054 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.81 -47.41 72.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mt -61.88 -42.99 99.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.424 -0.798 . . . . 0.0 110.024 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.4 mmm -64.06 -41.14 97.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.39 -0.819 . . . . 0.0 109.98 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.3 t -58.44 -38.0 76.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.372 -0.83 . . . . 0.0 110.195 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -67.12 -43.13 83.23 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.478 -0.764 . . . . 0.0 109.965 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -69.82 -41.16 75.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.356 -0.84 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.12 -26.98 67.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.417 -0.802 . . . . 0.0 110.129 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 155.03 20.89 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.833 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -167.79 102.45 0.48 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.4 -0.813 . . . . 0.0 110.137 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -143.42 140.14 30.28 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.372 -0.83 . . . . 0.0 110.249 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -162.24 84.34 0.57 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 0.0 110.267 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 m -72.99 -41.67 64.07 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.333 -0.854 . . . . 0.0 110.23 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.38 -56.33 17.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.398 -0.814 . . . . 0.0 110.164 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -27.09 61.81 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.414 -0.804 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.56 -45.38 75.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.304 -0.873 . . . . 0.0 110.077 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -46.43 83.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.321 -0.862 . . . . 0.0 109.911 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.47 -31.11 71.65 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.37 -0.831 . . . . 0.0 110.094 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -74.18 -42.88 59.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.383 -0.823 . . . . 0.0 110.095 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.28 99.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.349 -0.844 . . . . 0.0 110.063 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.415 ' CE1' HG12 ' A' ' 108' ' ' VAL . 12.4 m-85 -66.98 -37.47 84.3 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.365 -0.835 . . . . 0.0 110.045 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -65.31 -37.26 86.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.377 -0.827 . . . . 0.0 110.194 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.0 -45.55 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.415 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 8.5 m-85 -60.84 -25.2 66.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.365 -0.834 . . . . 0.0 110.226 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.65 171.84 1.43 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.368 -0.833 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 -69.88 0.74 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.876 . . . . 0.0 110.218 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -84.17 -61.74 1.74 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.308 -0.87 . . . . 0.0 110.223 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.25 45.21 0.02 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.87 -31.34 6.14 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.335 -1.097 . . . . 0.0 110.137 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.66 64.5 0.56 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.6 mt -146.26 104.58 3.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -1.118 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.8 pt -129.42 159.02 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.373 -0.829 . . . . 0.0 110.23 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -79.93 160.18 26.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.382 -0.824 . . . . 0.0 110.194 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.03 -34.41 59.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.358 -0.838 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.13 87.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.047 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -69.31 -31.06 69.29 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.342 -0.849 . . . . 0.0 109.904 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.64 -37.38 70.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.387 -0.821 . . . . 0.0 110.072 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -70.04 -39.06 75.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.413 -0.804 . . . . 0.0 110.23 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -67.03 -35.49 80.0 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 0.0 110.24 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.415 HG12 ' CE1' ' A' ' 89' ' ' PHE . 89.8 t -70.79 -40.11 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.315 -0.866 . . . . 0.0 110.131 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -31.37 72.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.177 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.7 m -79.56 -35.92 39.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.382 -0.824 . . . . 0.0 110.268 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.68 -40.24 84.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.382 -0.824 . . . . 0.0 110.168 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 55.4 mt -61.68 -28.58 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.311 -0.868 . . . . 0.0 110.147 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.9 37.56 25.53 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -12.08 61.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.426 -1.044 . . . . 0.0 110.458 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.07 46.25 22.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.224 -0.922 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.8 mt -97.52 127.77 43.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.479 -0.763 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.7 p -60.91 157.93 14.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -0.854 . . . . 0.0 110.187 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.97 -27.88 68.59 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.301 -0.874 . . . . 0.0 110.18 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.99 -29.83 69.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.469 -0.77 . . . . 0.0 110.175 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.36 -51.42 20.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.356 -0.84 . . . . 0.0 110.093 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.78 -28.85 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.453 -0.779 . . . . 0.0 109.879 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.42 -40.07 77.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.46 -0.775 . . . . 0.0 110.037 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -73.4 -29.12 62.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.387 -0.82 . . . . 0.0 110.088 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.404 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 3.8 mtm -78.04 -38.77 43.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.426 -0.796 . . . . 0.0 110.1 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.08 -41.4 90.75 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.368 -0.833 . . . . 0.0 110.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -32.9 67.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.487 -0.758 . . . . 0.0 110.162 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -79.51 -38.14 35.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 0.0 110.182 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 67.0 t -81.08 -55.45 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.4 -0.813 . . . . 0.0 110.033 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 t -66.26 147.71 52.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.358 -0.839 . . . . 0.0 110.186 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -132.77 31.18 3.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.339 -0.851 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.47 46.23 5.57 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.7 t -121.7 -51.46 2.04 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.382 -1.07 . . . . 0.0 110.209 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 128.19 -41.47 1.57 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -104.86 153.81 20.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.386 -1.067 . . . . 0.0 110.176 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.407 HD13 HG22 ' A' ' 135' ' ' ILE . 88.8 mt -133.33 141.92 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.838 . . . . 0.0 110.167 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -80.59 142.2 34.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.447 -0.783 . . . . 0.0 110.166 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.9 pt -79.7 -16.56 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.352 -0.842 . . . . 0.0 110.575 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -59.7 -50.0 75.56 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.215 -0.928 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -70.7 -36.94 73.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.194 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.404 ' CE1' ' HE2' ' A' ' 124' ' ' MET . 0.2 OUTLIER -71.33 -43.15 67.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.401 -0.812 . . . . 0.0 110.033 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.54 70.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.361 -0.837 . . . . 0.0 110.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.86 -33.45 59.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.836 . . . . 0.0 110.127 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.3 mt -68.62 -38.32 80.45 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.455 -0.778 . . . . 0.0 110.091 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 84.4 mt -79.12 -63.53 1.4 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.459 -0.776 . . . . 0.0 110.143 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.5 t 52.31 44.97 29.28 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.356 -0.84 . . . . 0.0 110.524 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.253 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.154 0.502 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.12 -178.59 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.348 -0.845 . . . . 0.0 110.417 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -126.99 165.8 18.76 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.396 -0.815 . . . . 0.0 110.149 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.94 133.68 51.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.318 -0.864 . . . . 0.0 110.312 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 p -86.57 172.85 9.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.467 -0.771 . . . . 0.0 109.976 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.71 -35.71 73.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.272 -0.893 . . . . 0.0 110.235 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -67.63 -40.95 84.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 0.0 109.959 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 29.0 mm-40 -68.48 -44.85 73.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.437 -0.789 . . . . 0.0 110.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.4 mt -64.13 -28.56 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.357 -0.839 . . . . 0.0 110.008 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -42.12 70.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.393 -0.817 . . . . 0.0 110.022 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -61.67 -48.73 79.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.431 -0.793 . . . . 0.0 110.162 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 26.3 m-85 -60.15 -39.33 85.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.7 ttmm -59.18 -39.18 81.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.305 -0.872 . . . . 0.0 110.181 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.65 -53.73 46.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.36 -0.837 . . . . 0.0 110.11 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.91 81.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.0 110.081 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.416 ' CE1' HG23 ' A' ' 27' ' ' ILE . 10.7 t80 -66.68 -43.55 84.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.399 -0.813 . . . . 0.0 109.97 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.88 66.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.403 -0.811 . . . . 0.0 110.028 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.02 -14.47 61.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.28 -0.888 . . . . 0.0 110.321 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -130.79 36.87 3.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.201 -0.937 . . . . 0.0 110.594 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 20' ' ' ASP . 6.1 p30 -101.87 26.3 7.66 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.945 . . . . 0.0 110.402 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -21.88 52.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 110.23 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.58 -27.51 66.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.379 -0.826 . . . . 0.0 110.375 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -155.09 -78.08 0.1 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -168.36 -58.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.218 -0.926 . . . . 0.0 110.085 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.4 35.05 2.9 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -151.31 144.5 24.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.318 -1.107 . . . . 0.0 110.213 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.416 HG23 ' CE1' ' A' ' 16' ' ' PHE . 45.1 pt -121.24 156.09 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 110.169 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.5 m -84.41 159.96 20.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.348 -0.845 . . . . 0.0 110.258 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -60.28 -25.77 65.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.408 -0.808 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.6 m -66.24 -40.54 90.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.846 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -82.34 -13.63 56.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.414 -0.804 . . . . 0.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.9 tp -57.94 -50.14 74.39 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.181 -0.949 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.15 74.15 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.388 -0.82 . . . . 0.0 110.344 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 m -67.66 -35.81 79.56 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.334 -0.854 . . . . 0.0 110.039 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.55 -41.07 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.9 mtt -66.59 -39.02 88.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.401 -0.812 . . . . 0.0 110.017 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -62.76 -31.74 72.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.338 -0.851 . . . . 0.0 110.058 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -35.17 56.97 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.394 -0.816 . . . . 0.0 110.143 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.16 -21.02 64.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.321 -0.862 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.26 35.83 0.91 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.8 mt -123.3 174.11 7.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.388 -1.066 . . . . 0.0 110.197 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -167.2 64.77 0.75 Allowed Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.382 -0.823 . . . . 0.0 110.074 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.28 136.96 25.13 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.797 1.42 . . . . 0.0 110.498 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -65.95 179.27 0.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.426 -0.796 . . . . 0.0 110.06 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.3 -28.5 70.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.259 -0.901 . . . . 0.0 109.945 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.05 -43.27 75.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.403 -0.811 . . . . 0.0 110.108 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.96 -34.25 73.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.388 -0.82 . . . . 0.0 109.883 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.53 -38.23 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.486 -0.759 . . . . 0.0 109.835 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -64.03 -40.98 97.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.408 -0.808 . . . . 0.0 109.832 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.93 -49.57 75.63 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.478 -0.764 . . . . 0.0 110.024 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.58 -43.47 98.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.34 -0.85 . . . . 0.0 109.871 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.9 mtt -68.06 -29.18 68.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.465 -0.772 . . . . 0.0 109.869 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -65.59 -37.75 87.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.402 -0.811 . . . . 0.0 109.963 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -73.05 -39.64 65.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.383 -0.823 . . . . 0.0 109.922 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.426 HG22 ' CD2' ' A' ' 61' ' ' HIS . 14.2 mt -75.59 -62.99 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.487 -0.758 . . . . 0.0 109.852 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.6 102.4 0.33 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.385 -0.822 . . . . 0.0 110.15 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.4 t -91.83 -58.67 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.335 -0.853 . . . . 0.0 110.133 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -103.15 26.59 8.07 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.393 -0.817 . . . . 0.0 110.294 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.85 -31.89 7.42 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -123.65 136.28 54.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.292 -1.122 . . . . 0.0 110.312 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.426 ' CD2' HG22 ' A' ' 55' ' ' ILE . 4.5 t60 -167.92 116.79 0.77 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.452 -0.78 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -85.32 123.38 30.73 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.376 -0.828 . . . . 0.0 109.861 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.4 mt -79.94 112.27 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.281 -0.887 . . . . 0.0 110.307 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.87 160.19 20.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.426 -0.796 . . . . 0.0 109.862 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 14.3 t80 -53.7 -27.85 30.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.313 -0.867 . . . . 0.0 110.488 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.9 p -71.71 -51.69 21.64 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.336 -0.853 . . . . 0.0 110.02 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.12 -34.16 77.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.438 -0.789 . . . . 0.0 110.056 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.48 -48.45 72.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.337 -0.852 . . . . 0.0 110.217 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.8 mt -60.46 -35.64 76.33 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.305 -0.872 . . . . 0.0 110.112 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.97 -48.95 56.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.352 -0.843 . . . . 0.0 110.107 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.98 -36.33 83.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.394 -0.817 . . . . 0.0 109.997 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.445 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 81.1 mmm -65.43 -42.37 92.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.493 -0.754 . . . . 0.0 110.093 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -61.99 -37.14 83.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.344 -0.848 . . . . 0.0 110.176 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -70.14 -29.8 66.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.462 -0.773 . . . . 0.0 110.12 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -91.14 -30.13 16.88 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.436 -0.79 . . . . 0.0 110.217 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -25.99 50.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.359 -0.838 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -65.41 170.49 4.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.214 -0.929 . . . . 0.0 110.173 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 t -126.34 143.4 51.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.317 -0.864 . . . . 0.0 110.322 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -109.93 -166.82 1.13 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.323 -0.861 . . . . 0.0 110.183 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.89 130.38 35.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.323 -0.86 . . . . 0.0 110.103 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.4 p -73.1 -26.4 61.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.382 -0.824 . . . . 0.0 110.217 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -55.96 -31.2 62.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.258 -0.901 . . . . 0.0 110.278 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.61 -46.28 90.87 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.298 -0.877 . . . . 0.0 110.114 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.26 -50.02 71.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 109.994 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -32.85 73.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.405 -0.81 . . . . 0.0 110.062 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.99 -38.45 82.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.337 -0.852 . . . . 0.0 110.005 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -63.27 -45.72 90.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.347 -0.846 . . . . 0.0 110.06 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.26 90.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.355 -0.841 . . . . 0.0 110.116 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -63.58 -38.3 90.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.841 . . . . 0.0 110.167 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -33.46 73.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.307 -0.87 . . . . 0.0 110.154 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.8 t -70.96 -42.18 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.289 -0.882 . . . . 0.0 110.024 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.446 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 8.7 m-85 -65.48 -27.34 68.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.311 -0.868 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.43 176.53 6.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.338 -0.851 . . . . 0.0 110.232 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -89.52 -72.22 0.57 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.336 -0.852 . . . . 0.0 110.244 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -99.54 -73.04 0.64 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.352 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.82 36.85 0.12 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -81.49 -44.12 17.85 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -1.041 . . . . 0.0 110.24 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.58 37.73 8.59 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.3 mt -129.04 102.84 6.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.348 -1.09 . . . . 0.0 110.189 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.6 pt -125.83 160.15 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.372 -0.83 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -79.86 160.4 26.09 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.423 -0.798 . . . . 0.0 110.195 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.48 -28.77 21.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.35 -0.844 . . . . 0.0 110.488 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.79 -53.02 45.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.349 -0.844 . . . . 0.0 110.033 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -62.43 -29.4 70.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.41 -0.806 . . . . 0.0 109.918 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.427 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -69.27 -44.54 71.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.398 -0.814 . . . . 0.0 110.112 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -41.51 98.55 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.4 -0.813 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -63.46 -38.35 90.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -0.814 . . . . 0.0 110.161 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.446 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 85.6 t -65.43 -44.35 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.36 -0.837 . . . . 0.0 110.028 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 mp -62.25 -29.8 70.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.062 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.7 m -74.51 -43.37 56.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 110.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -42.96 99.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.347 -0.846 . . . . 0.0 110.122 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.05 -23.08 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.424 -0.798 . . . . 0.0 110.145 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.2 23.36 44.8 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.36 105.08 6.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.32 -1.106 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -73.24 63.85 0.75 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.323 -0.86 . . . . 0.0 110.148 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.2 mt -89.68 149.7 22.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.893 . . . . 0.0 110.173 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.0 p -87.89 159.16 18.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.323 -0.861 . . . . 0.0 110.18 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.53 -25.26 64.36 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.356 -0.84 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.19 -34.98 77.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.361 -0.837 . . . . 0.0 110.147 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -69.76 -52.98 20.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.331 -0.855 . . . . 0.0 110.086 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.74 -25.55 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.383 -0.823 . . . . 0.0 110.026 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.99 -44.32 48.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.376 -0.827 . . . . 0.0 110.067 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -26.64 61.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.06 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.9 mtp -79.71 -36.14 37.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.317 -0.864 . . . . 0.0 110.236 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.25 -40.51 77.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.391 -0.818 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -65.92 -36.78 84.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 110.281 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -80.09 -30.19 39.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.323 -0.861 . . . . 0.0 110.528 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.5 t -92.45 -59.16 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.312 -0.868 . . . . 0.0 110.348 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 t -57.91 115.04 2.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.345 -0.847 . . . . 0.0 110.38 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -167.89 32.73 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.457 -0.777 . . . . 0.0 110.194 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -125.85 -98.97 1.14 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.6 t -120.48 -72.07 0.71 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -1.069 . . . . 0.0 110.176 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.77 29.41 0.55 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -137.82 158.9 43.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.427 -1.043 . . . . 0.0 110.273 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.438 HG23 HD13 ' A' ' 135' ' ' ILE . 83.0 mt -133.54 149.14 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.408 -0.807 . . . . 0.0 110.133 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -88.6 125.47 34.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.316 -0.865 . . . . 0.0 110.223 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.5 pt -67.26 -19.0 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.425 -0.797 . . . . 0.0 110.379 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -68.1 -51.08 50.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.222 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -62.72 -36.28 82.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.326 -0.859 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.427 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -70.92 -41.74 70.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.843 . . . . 0.0 110.117 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.46 74.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.4 -0.812 . . . . 0.0 110.152 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.44 -27.65 41.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.334 -0.854 . . . . 0.0 110.173 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.9 mt -71.29 -36.26 71.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.369 -0.832 . . . . 0.0 110.124 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 92.7 mt -77.51 -27.23 51.7 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.448 -0.782 . . . . 0.0 110.182 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 64.2 m -61.99 -169.23 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.342 -0.849 . . . . 0.0 110.197 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 2.5 tttt . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.248 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.153 0.502 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.26 29.54 4.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.399 -0.813 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -138.46 128.45 25.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.836 . . . . 0.0 110.228 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.4 mt -72.26 127.83 33.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.36 -0.837 . . . . 0.0 110.207 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -80.57 175.61 10.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 110.056 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -62.51 -36.91 84.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.846 . . . . 0.0 110.192 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.93 -41.9 86.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.264 -0.897 . . . . 0.0 110.071 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 14.4 mm-40 -68.67 -43.68 75.64 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.425 -0.797 . . . . 0.0 110.062 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.5 mt -66.72 -32.57 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.34 -34.64 72.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.37 -0.831 . . . . 0.0 110.128 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -67.35 -45.57 75.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.096 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.432 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 23.9 m-85 -63.17 -41.4 99.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 109.995 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.5 ttmt -59.26 -38.89 81.2 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.407 -0.808 . . . . 0.0 110.207 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.08 -53.66 46.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.328 -0.858 . . . . 0.0 110.097 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.46 -34.87 78.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.38 -0.825 . . . . 0.0 110.242 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CE1' HG23 ' A' ' 27' ' ' ILE . 9.0 t80 -69.31 -40.46 77.63 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.337 -0.852 . . . . 0.0 110.149 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.01 73.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.446 -0.784 . . . . 0.0 110.145 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.71 -39.74 94.98 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 110.102 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 34' ' ' THR . 87.9 m-85 -101.78 25.04 9.03 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.409 -0.807 . . . . 0.0 110.152 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -95.49 75.81 3.31 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.409 -0.807 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 -17.11 12.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.432 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -54.82 -71.02 0.09 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.238 -0.914 . . . . 0.0 110.587 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -126.64 -76.38 0.58 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.246 -0.909 . . . . 0.0 110.463 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -152.58 -43.03 0.1 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 0.0 110.412 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.54 54.38 0.69 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -159.88 139.64 11.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.287 -1.125 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.426 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.7 pt -125.16 158.84 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.86 . . . . 0.0 110.158 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.9 m -80.84 158.52 25.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 110.18 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -62.27 -27.18 68.84 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.386 -0.821 . . . . 0.0 110.317 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -64.34 -41.82 96.58 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.323 -0.86 . . . . 0.0 110.16 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -78.49 -15.65 58.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.289 -0.882 . . . . 0.0 110.472 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.6 tp -54.18 -55.15 30.72 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.257 -0.902 . . . . 0.0 110.55 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.55 79.38 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.273 -0.892 . . . . 0.0 110.204 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.418 HG23 ' CZ ' ' A' ' 19' ' ' PHE . 91.1 m -63.56 -39.64 94.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.381 -0.824 . . . . 0.0 110.014 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.2 -43.87 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.431 -0.793 . . . . 0.0 109.968 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.3 mtt -62.77 -31.43 72.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.497 -0.752 . . . . 0.0 109.948 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -69.57 -38.62 77.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.427 -0.796 . . . . 0.0 110.242 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -34.09 62.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.35 -0.844 . . . . 0.0 110.294 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.97 -25.06 66.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.317 -0.864 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.95 33.23 1.56 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.2 mt -123.3 -177.24 3.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.407 -1.055 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t -168.05 68.45 0.81 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.41 -0.807 . . . . 0.0 110.22 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.64 137.29 24.78 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.749 1.394 . . . . 0.0 110.264 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.8 167.06 2.97 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.267 -0.895 . . . . 0.0 110.144 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -27.72 63.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 110.117 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.43 66.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.436 -0.79 . . . . 0.0 109.912 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.69 -37.32 86.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.357 -0.84 . . . . 0.0 109.997 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.05 -44.4 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.387 -0.82 . . . . 0.0 109.914 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -32.13 72.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.315 -0.865 . . . . 0.0 110.03 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -67.68 -50.62 56.82 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.38 -0.825 . . . . 0.0 109.933 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.84 -40.28 96.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.398 -0.814 . . . . 0.0 109.885 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mtt -66.81 -35.39 79.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.401 -0.812 . . . . 0.0 110.026 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -62.65 -40.81 98.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.39 -0.819 . . . . 0.0 109.92 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.6 -36.75 83.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.443 -0.786 . . . . 0.0 109.832 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.428 HG22 ' CD2' ' A' ' 61' ' ' HIS . 9.8 mt -80.14 -58.83 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.454 -0.779 . . . . 0.0 109.992 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.68 95.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.397 -0.814 . . . . 0.0 110.376 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.1 t -103.6 -64.4 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.415 -0.803 . . . . 0.0 110.045 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -88.17 -32.13 18.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.433 -0.792 . . . . 0.0 110.244 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.33 -78.05 0.19 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.26 44.48 1.18 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.28 -1.129 . . . . 0.0 110.998 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CD2' HG22 ' A' ' 55' ' ' ILE . 4.3 t60 -63.81 110.36 2.04 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.222 -0.923 . . . . 0.0 110.231 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -80.33 142.56 34.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 110.02 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.446 HG23 HD13 ' A' ' 63' ' ' ILE . 82.7 mt -95.75 111.1 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.36 -0.838 . . . . 0.0 110.335 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.29 160.15 24.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.481 -0.762 . . . . 0.0 109.924 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.6 t80 -56.79 -28.68 61.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.27 -0.894 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -52.63 26.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.427 -0.796 . . . . 0.0 110.041 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.78 -35.14 79.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.382 -0.824 . . . . 0.0 109.98 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.47 -51.72 67.52 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.393 -0.817 . . . . 0.0 109.935 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 65' ' ' PHE . 52.1 mt -56.76 -41.11 77.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.842 . . . . 0.0 110.075 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.31 -49.18 58.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.442 -0.786 . . . . 0.0 109.911 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.39 -33.91 75.69 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.438 -0.789 . . . . 0.0 110.029 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.432 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 76.3 mmm -70.56 -44.03 68.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.428 -0.795 . . . . 0.0 110.039 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -60.23 -30.79 69.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 110.006 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -79.97 -30.18 39.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.401 -0.812 . . . . 0.0 110.11 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -89.25 -27.56 20.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.315 -0.866 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mt -89.25 60.77 5.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.34 -0.85 . . . . 0.0 110.17 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 167.69 20.79 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.301 -0.875 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.3 m -71.94 65.16 0.53 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.369 -0.832 . . . . 0.0 110.207 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -118.85 81.7 1.74 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.389 -0.819 . . . . 0.0 110.276 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.6 -164.92 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.293 -0.879 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 p -61.23 -27.05 68.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.4 -0.812 . . . . 0.0 110.27 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.32 -55.09 8.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.372 -0.83 . . . . 0.0 110.231 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -57.11 -37.54 72.1 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.389 -0.819 . . . . 0.0 110.22 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.39 -45.0 95.12 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.328 -0.858 . . . . 0.0 109.978 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.52 -42.36 99.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 109.917 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.85 -35.84 77.61 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.83 . . . . 0.0 109.874 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -50.79 70.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.368 -0.833 . . . . 0.0 109.908 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.42 94.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 110.011 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD1' HG22 ' A' ' 137' ' ' ILE . 10.1 m-85 -61.45 -33.46 73.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.418 -0.801 . . . . 0.0 110.064 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -43.24 90.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.423 -0.798 . . . . 0.0 110.076 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.09 -38.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.348 -0.845 . . . . 0.0 109.965 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.439 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 7.0 m-85 -68.28 -26.93 65.9 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.403 -0.811 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -78.31 152.33 32.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.905 . . . . 0.0 110.16 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.17 -52.94 3.03 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.375 -0.828 . . . . 0.0 110.217 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -64.13 -35.58 81.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.873 . . . . 0.0 110.144 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.5 48.6 3.43 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.91 20.32 6.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -1.054 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.23 47.95 88.3 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.0 mt -141.76 110.69 6.22 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -1.129 . . . . 0.0 110.247 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.9 pt -132.39 160.14 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.387 -0.821 . . . . 0.0 110.191 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -79.81 160.32 26.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.395 -0.815 . . . . 0.0 110.315 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.39 -34.53 48.42 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.376 -0.827 . . . . 0.0 110.437 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.15 -53.01 61.44 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.412 -0.805 . . . . 0.0 110.061 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -62.36 -32.65 73.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.33 -0.856 . . . . 0.0 109.974 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.416 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -69.05 -43.41 74.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.419 -0.801 . . . . 0.0 110.164 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -61.27 -38.35 86.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.319 -0.863 . . . . 0.0 110.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -68.89 -33.07 73.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 110.052 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.439 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 79.8 t -72.53 -44.56 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.389 -0.819 . . . . 0.0 109.942 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.66 -33.64 74.31 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.414 -0.804 . . . . 0.0 110.155 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.0 m -79.57 -30.09 41.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.301 -0.875 . . . . 0.0 110.2 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -73.59 -40.84 63.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.341 -0.849 . . . . 0.0 110.181 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.2 mt -62.49 -26.27 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.344 -0.848 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.38 29.15 31.09 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.74 142.73 54.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.403 -1.057 . . . . 0.0 110.106 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -80.2 62.88 4.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -0.865 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.2 mt -124.96 131.23 53.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 0.0 110.236 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.2 p -84.26 -166.97 1.59 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.394 -0.816 . . . . 0.0 110.203 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.4 -33.69 42.46 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.361 -0.837 . . . . 0.0 110.122 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.47 98.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.388 -0.82 . . . . 0.0 110.108 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.48 -51.42 67.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 64.6 t -60.34 -26.85 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.41 -0.806 . . . . 0.0 110.104 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.5 -47.14 67.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 110.077 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -68.22 -32.51 72.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.355 -0.841 . . . . 0.0 110.15 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.4 mtp -77.01 -28.62 55.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.379 -0.826 . . . . 0.0 110.169 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.19 -45.19 67.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -68.04 -30.69 69.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.338 -0.851 . . . . 0.0 110.308 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -80.07 -27.34 39.35 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.326 -0.859 . . . . 0.0 110.236 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 65.5 t -95.98 -37.64 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.264 -0.898 . . . . 0.0 110.237 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.5 t -61.08 114.77 3.29 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.396 -0.815 . . . . 0.0 110.204 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -100.33 -44.94 5.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.348 -0.845 . . . . 0.0 110.335 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 132' ' ' SER . . . -117.86 9.96 14.05 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 131' ' ' GLY . 1.3 t 68.76 -3.42 1.43 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.353 -1.086 . . . . 0.0 111.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -88.36 -112.16 1.13 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -85.67 153.17 22.54 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.419 -1.048 . . . . 0.0 110.312 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.448 HD13 HG23 ' A' ' 135' ' ' ILE . 86.1 mt -116.18 148.43 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.427 -0.795 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -88.26 118.96 28.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.336 -0.853 . . . . 0.0 110.193 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.404 HG22 ' CD1' ' A' ' 89' ' ' PHE . 24.2 pt -61.63 -18.92 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.432 -0.793 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -56.49 21.14 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.206 -0.934 . . . . 0.0 110.341 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -63.61 -40.95 98.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.306 -0.872 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.416 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.91 -36.73 84.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.277 -0.889 . . . . 0.0 110.132 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -70.43 -27.62 64.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 110.223 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.69 -38.5 64.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.316 -0.865 . . . . 0.0 110.179 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.08 -34.79 68.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.335 -0.853 . . . . 0.0 110.219 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 91.9 mt -79.98 -10.28 59.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.85 . . . . 0.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.6 t -58.18 -65.64 0.61 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.184 -0.948 . . . . 0.0 110.299 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.226 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.269 0.557 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 p -162.32 178.04 9.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.339 -0.851 . . . . 0.0 110.137 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.0 t30 56.43 172.09 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.371 -0.83 . . . . 0.0 110.382 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.72 154.92 16.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.296 -0.877 . . . . 0.0 110.323 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.4 p -95.95 172.45 8.0 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.363 -0.836 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.47 -39.96 85.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.386 -0.821 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.84 -46.42 81.98 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.41 -0.806 . . . . 0.0 110.015 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.403 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 93.6 mt-30 -67.12 -41.49 86.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.327 -0.858 . . . . 0.0 110.072 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.3 mt -67.03 -32.88 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.397 -0.815 . . . . 0.0 109.914 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.58 73.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.39 -0.819 . . . . 0.0 109.935 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.0 -50.96 52.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.394 -0.816 . . . . 0.0 110.092 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.417 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 25.1 m-85 -60.48 -38.76 85.27 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.391 -0.818 . . . . 0.0 109.986 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.9 tttt -60.5 -39.83 89.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.389 -0.82 . . . . 0.0 110.039 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -61.89 -50.08 73.64 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.405 -0.809 . . . . 0.0 109.972 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -27.72 64.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.399 -0.813 . . . . 0.0 110.004 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -75.72 -43.16 48.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.35 -0.844 . . . . 0.0 110.037 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.19 -29.75 69.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.374 -0.829 . . . . 0.0 110.104 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.5 mt -62.01 -41.37 97.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.304 -0.873 . . . . 0.0 110.178 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CZ ' HG21 ' A' ' 34' ' ' THR . 44.7 m-85 -90.7 -28.85 18.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.372 -0.83 . . . . 0.0 110.241 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.14 118.54 8.06 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.329 -0.857 . . . . 0.0 109.947 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -60.14 -89.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.31 -0.869 . . . . 0.0 110.358 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -174.25 34.45 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.11 -0.994 . . . . 0.0 110.132 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -84.93 -47.33 10.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.265 -0.897 . . . . 0.0 110.184 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -168.88 -39.55 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.381 -0.825 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.33 43.34 0.03 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 p -134.44 145.34 48.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -1.09 . . . . 0.0 110.226 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 pt -119.57 158.18 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.364 -0.835 . . . . 0.0 110.223 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -81.59 160.13 23.89 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -65.59 -27.46 68.43 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.356 -0.84 . . . . 0.0 110.188 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.6 t -61.53 -30.87 70.91 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.289 -0.882 . . . . 0.0 110.159 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -93.11 -16.23 25.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.413 -0.804 . . . . 0.0 110.356 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.7 tp -53.58 -53.57 49.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.231 -0.918 . . . . 0.0 110.452 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.23 84.72 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 110.224 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.419 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 43.1 m -68.98 -38.3 79.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.295 -0.878 . . . . 0.0 110.079 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.58 -36.62 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.379 -0.825 . . . . 0.0 109.795 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 42.4 mtt -69.45 -37.15 77.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.361 -0.837 . . . . 0.0 109.788 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -65.87 -36.25 82.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.422 -0.799 . . . . 0.0 110.113 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -69.25 -37.76 78.1 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.367 -0.833 . . . . 0.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.8 mt -63.92 -27.33 69.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.365 -0.834 . . . . 0.0 110.2 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.34 40.08 0.31 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.5 mt -128.55 176.37 7.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.307 -1.114 . . . . 0.0 110.132 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -167.23 63.7 0.7 Allowed Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.349 -0.844 . . . . 0.0 110.192 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.9 137.99 25.26 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 O-C-N 123.771 1.406 . . . . 0.0 110.431 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.73 171.33 1.19 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.428 -0.795 . . . . 0.0 110.178 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -59.69 -27.47 66.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.32 -0.862 . . . . 0.0 110.179 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.63 76.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.338 -0.851 . . . . 0.0 110.052 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -41.49 95.41 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.402 -0.812 . . . . 0.0 110.066 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.59 -38.67 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.366 -0.834 . . . . 0.0 109.913 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -62.74 -40.84 98.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.364 -0.835 . . . . 0.0 110.029 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.92 -48.75 79.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.41 -0.806 . . . . 0.0 110.091 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.37 -38.79 88.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.347 -0.845 . . . . 0.0 110.002 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.4 mtt -69.71 -29.76 67.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.0 110.014 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -67.45 -39.22 85.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 110.097 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -72.36 -35.65 68.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.412 -0.805 . . . . 0.0 110.06 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.425 HG22 ' CD2' ' A' ' 61' ' ' HIS . 4.8 mt -83.04 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.454 -0.779 . . . . 0.0 109.996 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.603 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 38.1 t70 -50.48 -60.27 3.18 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.326 -0.859 . . . . 0.0 110.518 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.603 ' HB ' ' O ' ' A' ' 56' ' ' ASP . 60.7 t 70.57 -19.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.678 -0.639 . . . . 0.0 110.99 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 56' ' ' ASP . 1.2 t0 -163.74 -65.88 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 110.253 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.48 35.76 0.03 OUTLIER Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -178.88 92.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.272 -1.134 . . . . 0.0 109.952 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.425 ' CD2' HG22 ' A' ' 55' ' ' ILE . 4.9 t60 -154.57 109.22 3.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.295 -0.878 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -80.64 135.71 36.09 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.354 -0.841 . . . . 0.0 109.987 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.453 HD13 HG21 ' A' ' 63' ' ' ILE . 71.9 mt -89.1 121.68 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.279 -0.888 . . . . 0.0 110.317 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -92.77 160.16 15.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 109.982 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CE2' HD13 ' A' ' 69' ' ' LEU . 14.8 t80 -55.92 -29.32 59.89 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.365 -0.834 . . . . 0.0 110.357 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -68.84 -54.02 18.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.331 -0.856 . . . . 0.0 110.003 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -66.39 -34.84 78.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.319 -0.863 . . . . 0.0 110.041 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.59 -48.89 77.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 110.033 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD13 ' CE2' ' A' ' 65' ' ' PHE . 47.4 mt -59.46 -39.84 84.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.289 -0.882 . . . . 0.0 110.196 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.72 77.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 110.048 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.1 -42.89 99.35 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.354 -0.841 . . . . 0.0 110.026 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.417 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 94.0 mmm -63.01 -35.28 79.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.967 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.9 t -61.95 -45.72 92.43 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.418 -0.801 . . . . 0.0 110.185 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.417 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 10.2 ptt85 -62.11 -38.62 89.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.382 -0.824 . . . . 0.0 109.933 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.417 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 48.9 mt-30 -77.86 -35.87 50.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.482 -0.761 . . . . 0.0 110.234 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 38.8 mt -76.46 -22.4 54.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.374 -0.829 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -58.7 -176.68 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.383 -0.823 . . . . 0.0 110.356 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -83.19 -150.33 0.1 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.377 -0.827 . . . . 0.0 110.173 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 53.88 64.96 1.65 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.27 -0.894 . . . . 0.0 110.43 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -154.94 102.69 2.36 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.361 -0.837 . . . . 0.0 110.168 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -78.62 -42.65 28.29 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.346 -0.846 . . . . 0.0 110.255 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.81 -38.35 75.39 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.326 -0.859 . . . . 0.0 110.389 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.47 -31.39 70.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.415 -0.803 . . . . 0.0 109.943 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.69 -43.05 90.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.47 -0.768 . . . . 0.0 110.041 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -43.64 91.71 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.997 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.51 -32.67 74.2 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.412 -0.805 . . . . 0.0 109.988 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.28 -47.02 75.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.841 . . . . 0.0 109.992 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.86 -45.6 91.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.322 -0.861 . . . . 0.0 110.086 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -61.66 -33.76 74.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.307 -0.871 . . . . 0.0 110.094 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -41.54 92.54 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.374 -0.829 . . . . 0.0 110.056 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.36 -33.82 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.354 -0.841 . . . . 0.0 110.0 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -74.87 -27.93 60.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.185 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.77 176.09 9.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.335 -0.853 . . . . 0.0 110.206 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -149.21 50.09 0.97 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.815 . . . . 0.0 110.226 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -166.61 -62.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.404 -0.81 . . . . 0.0 110.157 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.83 -26.89 2.48 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.49 -32.35 71.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -1.071 . . . . 0.0 110.29 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.94 62.13 1.25 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 37.4 mt -136.18 127.04 27.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.344 -1.092 . . . . 0.0 110.162 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 pt -138.77 160.23 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.324 -0.86 . . . . 0.0 110.218 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.8 m -79.77 160.28 26.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.373 -0.829 . . . . 0.0 110.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.86 -34.14 53.02 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.402 -0.811 . . . . 0.0 110.482 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.64 -57.43 11.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.251 -0.906 . . . . 0.0 110.12 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.4 -28.49 66.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.363 -0.836 . . . . 0.0 110.004 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.432 ' CD2' ' CE2' ' A' ' 140' ' ' PHE . 16.2 tp -68.77 -46.54 68.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.418 -0.801 . . . . 0.0 110.07 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -65.37 -28.77 69.51 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.42 -43.34 77.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.134 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 68.5 t -65.88 -41.95 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.299 -0.875 . . . . 0.0 110.002 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' A' ' 140' ' ' PHE . 1.6 mt -60.69 -35.68 76.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.364 -0.835 . . . . 0.0 110.222 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.4 m -79.97 -30.36 39.74 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.458 -0.776 . . . . 0.0 110.149 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.8 t -74.54 -42.61 58.54 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.282 -0.886 . . . . 0.0 110.162 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.3 -25.22 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.335 -0.853 . . . . 0.0 110.213 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.84 27.2 38.86 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.03 -16.99 62.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.368 -1.078 . . . . 0.0 110.201 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt 54.93 44.91 27.55 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.271 -0.893 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.12 118.47 31.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.364 -0.835 . . . . 0.0 110.176 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -59.74 166.09 2.75 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.415 -0.803 . . . . 0.0 110.233 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.12 -29.55 69.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.293 -0.88 . . . . 0.0 110.191 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.28 -46.42 88.88 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.342 -0.849 . . . . 0.0 110.052 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.69 -51.86 65.56 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.356 -0.84 . . . . 0.0 110.155 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.61 -27.26 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.37 -0.832 . . . . 0.0 109.955 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.37 -48.9 25.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.332 -0.855 . . . . 0.0 109.981 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.44 -29.23 69.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.1 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.401 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 2.9 mtp -75.6 -37.5 59.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.425 -0.797 . . . . 0.0 110.001 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.49 -32.62 73.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.398 -0.814 . . . . 0.0 110.095 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -39.14 93.57 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.364 -0.835 . . . . 0.0 110.201 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -80.3 -33.19 37.83 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.298 -0.876 . . . . 0.0 110.395 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.53 -60.95 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.869 . . . . 0.0 110.254 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 t -56.92 107.64 0.42 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.353 -0.842 . . . . 0.0 110.412 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -167.63 32.12 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.428 -0.795 . . . . 0.0 110.176 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.9 -104.96 1.98 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -41.25 3.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.346 -1.09 . . . . 0.0 110.275 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -179.41 -38.0 0.07 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 153.7 28.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.356 -1.085 . . . . 0.0 110.112 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 79.9 mt -121.22 144.76 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.372 -0.83 . . . . 0.0 110.107 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -85.44 130.85 34.49 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.381 -0.825 . . . . 0.0 110.166 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.6 pt -70.08 -21.24 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.356 -0.84 . . . . 0.0 110.483 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -51.89 67.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.927 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -64.01 -38.41 90.96 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.391 -0.818 . . . . 0.0 110.143 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.432 ' CE2' ' CD2' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -69.84 -41.35 75.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.045 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.67 69.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.867 . . . . 0.0 110.116 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.15 -40.5 59.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.298 -0.876 . . . . 0.0 110.114 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.88 -32.48 74.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.352 -0.842 . . . . 0.0 110.092 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.02 -29.45 39.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -0.834 . . . . 0.0 110.201 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 146' ' ' LYS . 27.7 t -84.08 80.52 9.15 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.378 -0.826 . . . . 0.0 110.227 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 145' ' ' SER . 25.3 pttt . . . . . 0 N--CA 1.503 2.176 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.424 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.5 p . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.185 0.516 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 t -130.75 45.61 2.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.395 -0.816 . . . . 0.0 110.18 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -93.96 -173.73 3.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.312 -0.867 . . . . 0.0 110.243 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.06 126.69 28.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.365 -0.835 . . . . 0.0 110.243 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.1 p -73.38 172.52 11.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.431 -0.793 . . . . 0.0 110.17 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.99 -40.1 92.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.412 -0.805 . . . . 0.0 110.199 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -61.93 -47.79 83.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.128 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -61.62 -43.75 98.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.344 -0.848 . . . . 0.0 110.173 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.25 -31.95 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.408 -0.807 . . . . 0.0 109.98 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.0 89.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.332 -0.855 . . . . 0.0 110.008 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.21 -48.4 65.28 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.325 -0.859 . . . . 0.0 110.126 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.417 ' CE1' ' HE2' ' A' ' 72' ' ' MET . 23.8 m-85 -62.57 -38.18 89.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 0.0 110.025 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.9 ttmm -62.59 -39.94 95.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.232 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.48 -49.14 76.57 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.322 -0.861 . . . . 0.0 110.201 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.47 -27.19 65.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 0.0 110.128 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -74.96 -46.85 32.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.21 -0.932 . . . . 0.0 110.172 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.57 -24.76 64.64 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.413 -0.804 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.11 -31.42 72.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.231 -0.918 . . . . 0.0 110.379 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.428 ' CZ ' HG21 ' A' ' 34' ' ' THR . 65.2 m-85 -103.73 -27.7 12.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.31 -0.869 . . . . 0.0 110.41 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -62.34 -85.76 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.27 -0.894 . . . . 0.0 109.971 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt 49.08 38.5 12.98 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.182 -0.949 . . . . 0.0 110.66 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -122.07 19.52 10.78 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.368 -0.832 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 51.25 32.85 8.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.273 -0.892 . . . . 0.0 110.465 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 29.0 p-10 -132.61 -40.57 0.97 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.426 -0.796 . . . . 0.0 110.558 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.31 31.33 6.89 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 p -148.42 148.62 30.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.31 -1.112 . . . . 0.0 110.177 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 pt -119.87 157.74 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.438 -0.788 . . . . 0.0 110.182 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -82.06 160.05 23.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.462 -0.774 . . . . 0.0 110.241 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -38.53 80.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.863 . . . . 0.0 110.339 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -55.79 -25.72 42.63 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -0.9 . . . . 0.0 110.349 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -95.05 -16.32 22.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.307 -0.871 . . . . 0.0 110.327 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -58.5 -49.95 75.53 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.222 -0.924 . . . . 0.0 110.346 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.79 85.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.374 -0.829 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.428 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 31.5 m -68.47 -40.34 81.06 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.363 -0.836 . . . . 0.0 110.092 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.87 -34.37 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.83 . . . . 0.0 109.89 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.1 mtt -72.86 -34.72 66.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.436 -0.79 . . . . 0.0 109.798 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -65.32 -35.51 81.21 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.513 -0.742 . . . . 0.0 110.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.6 m -80.2 -33.24 38.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.421 -0.799 . . . . 0.0 110.229 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.5 -22.14 66.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.36 -0.838 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.67 31.2 1.68 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.4 mt -122.18 178.33 4.97 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.307 -1.113 . . . . 0.0 110.021 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 p -167.32 64.78 0.74 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.287 -0.883 . . . . 0.0 110.38 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.5 137.74 25.85 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 O-C-N 123.7 1.369 . . . . 0.0 110.417 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -61.98 172.81 1.24 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.388 -0.82 . . . . 0.0 110.113 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -27.65 68.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.383 -0.823 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.72 -43.43 75.96 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.832 . . . . 0.0 110.117 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -67.79 -36.38 80.34 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.351 -0.843 . . . . 0.0 109.965 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.1 t -67.71 -40.23 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.368 -0.832 . . . . 0.0 109.945 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -61.88 -41.4 97.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.376 -0.827 . . . . 0.0 110.055 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.89 -48.37 82.11 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.381 -0.825 . . . . 0.0 110.107 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.28 -44.19 97.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.402 -0.811 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mtt -67.86 -29.11 68.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -0.824 . . . . 0.0 109.952 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -66.44 -37.08 84.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.432 -0.792 . . . . 0.0 109.985 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -75.61 -31.39 59.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.402 -0.811 . . . . 0.0 109.921 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.426 HG22 ' CD2' ' A' ' 61' ' ' HIS . 10.8 mt -87.26 -62.23 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.546 -0.721 . . . . 0.0 109.981 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.22 110.24 3.41 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.411 -0.806 . . . . 0.0 110.248 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.6 t -113.2 -60.89 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.358 -0.839 . . . . 0.0 109.926 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -100.59 34.37 2.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.816 . . . . 0.0 110.056 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.46 24.42 65.8 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -164.11 78.33 0.38 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.333 -1.098 . . . . 0.0 110.197 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.426 ' CD2' HG22 ' A' ' 55' ' ' ILE . 4.2 t60 -135.88 115.02 12.36 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.376 -0.828 . . . . 0.0 110.149 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -90.74 132.65 35.7 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.41 -0.806 . . . . 0.0 110.169 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.7 mt -82.17 131.3 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.412 -0.805 . . . . 0.0 110.306 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -94.23 160.11 14.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.391 -0.818 . . . . 0.0 110.046 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CE2' HD13 ' A' ' 69' ' ' LEU . 22.8 t80 -57.49 -33.15 67.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.308 -0.87 . . . . 0.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.9 t -66.49 -54.2 26.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.399 -0.813 . . . . 0.0 110.075 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.69 -35.18 78.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.342 -0.849 . . . . 0.0 110.035 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -64.93 -45.4 85.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.34 -0.85 . . . . 0.0 110.129 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.422 HD13 ' CE2' ' A' ' 65' ' ' PHE . 50.4 mt -59.63 -38.68 81.99 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.319 -0.863 . . . . 0.0 110.106 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.51 -50.79 41.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.432 -0.793 . . . . 0.0 109.971 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.36 -31.33 70.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.313 -0.867 . . . . 0.0 109.894 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.417 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 73.4 mmm -70.19 -41.53 73.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 109.96 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 t -60.16 -39.76 87.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.411 -0.806 . . . . 0.0 110.053 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.72 -25.84 44.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.428 -0.795 . . . . 0.0 110.155 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -85.1 -22.48 28.89 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.364 -0.835 . . . . 0.0 110.326 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.52 -28.17 65.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.283 -0.886 . . . . 0.0 110.345 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.52 46.92 0.92 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.394 -0.816 . . . . 0.0 110.215 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.3 p -69.21 -176.88 0.98 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.397 -0.814 . . . . 0.0 110.204 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -104.4 -166.76 1.28 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.328 -0.857 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.17 125.46 31.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.353 -0.842 . . . . 0.0 110.149 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.37 -35.0 58.91 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.833 . . . . 0.0 110.182 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.7 -35.4 66.02 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.345 -0.847 . . . . 0.0 110.296 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.65 -43.15 99.55 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.349 -0.845 . . . . 0.0 110.112 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.81 -43.9 97.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.347 -0.846 . . . . 0.0 110.137 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -45.85 92.36 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.346 -0.846 . . . . 0.0 110.08 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.11 -29.96 71.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.335 -0.853 . . . . 0.0 109.997 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -46.27 62.4 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.41 -0.806 . . . . 0.0 109.993 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.94 -44.82 95.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.396 -0.815 . . . . 0.0 110.088 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -63.39 -31.09 72.15 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.452 -0.78 . . . . 0.0 110.115 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -66.58 -42.61 86.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.359 -0.838 . . . . 0.0 110.203 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.53 -47.89 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.353 -0.842 . . . . 0.0 109.99 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.38 -27.37 68.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.334 -0.854 . . . . 0.0 110.205 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 95' ' ' ASN . 23.6 t0 -67.57 -30.32 69.91 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.316 -0.865 . . . . 0.0 110.187 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.93 -66.41 0.16 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.573 -0.704 . . . . 0.0 110.486 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ASP . 19.0 m120 -55.52 -70.1 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.272 -0.893 . . . . 0.0 110.348 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.47 -28.39 1.07 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -61.31 -58.91 6.33 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.371 -1.076 . . . . 0.0 110.193 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.0 50.9 0.19 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 81.6 mt -121.47 104.7 9.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.242 -1.152 . . . . 0.0 110.155 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.9 pt -126.14 159.77 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.351 -0.843 . . . . 0.0 110.306 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 t -79.89 160.3 26.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.25 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.9 -28.53 23.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.351 -0.843 . . . . 0.0 110.446 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.3 -53.07 49.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 0.0 110.108 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.88 -33.14 74.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.419 -0.8 . . . . 0.0 110.108 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.426 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 1.1 tp -67.5 -40.29 85.2 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.359 -0.838 . . . . 0.0 109.97 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -68.23 -37.22 80.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.362 -0.836 . . . . 0.0 110.258 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -67.44 -31.48 71.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.376 -0.828 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.6 t -74.95 -39.08 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.388 -0.82 . . . . 0.0 110.14 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -40.83 98.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.397 -0.815 . . . . 0.0 110.234 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.5 m -71.63 -32.39 67.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -68.14 -43.97 77.11 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.31 -0.869 . . . . 0.0 110.211 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.89 -29.38 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.395 -0.815 . . . . 0.0 109.971 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.88 27.09 22.6 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.39 150.1 42.02 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.325 -1.103 . . . . 0.0 110.123 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 64.53 3.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.423 -0.798 . . . . 0.0 110.26 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.5 mt -112.36 104.37 12.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.0 110.121 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.0 p -58.87 166.23 2.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.0 110.344 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.87 -29.63 70.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.386 -0.821 . . . . 0.0 110.14 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.93 96.73 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.423 -0.798 . . . . 0.0 110.111 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -65.4 -51.94 56.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.39 -0.819 . . . . 0.0 110.067 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.66 -28.37 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 109.94 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.16 -44.28 76.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.329 -0.857 . . . . 0.0 110.004 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.89 -29.13 68.16 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.364 -0.835 . . . . 0.0 109.95 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.28 -35.1 41.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.386 -0.821 . . . . 0.0 110.032 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.43 -26.28 62.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.416 -0.803 . . . . 0.0 110.158 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -69.53 -37.97 77.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.078 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -80.08 -29.87 39.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 110.189 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 59.7 t -96.67 -61.16 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.348 -0.845 . . . . 0.0 110.267 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 t -72.56 -159.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.388 -0.82 . . . . 0.0 110.243 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.03 40.63 28.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.385 -0.822 . . . . 0.0 110.496 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -149.5 -48.6 0.02 OUTLIER Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 45.6 m -128.7 -42.24 1.45 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.084 . . . . 0.0 110.185 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 133.24 -52.77 0.81 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -87.0 135.2 33.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.349 -1.089 . . . . 0.0 110.16 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 88.7 mt -102.84 146.67 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.317 -0.864 . . . . 0.0 110.119 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -92.57 137.84 32.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.456 -0.778 . . . . 0.0 110.17 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.1 pt -76.81 -21.2 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.329 -0.857 . . . . 0.0 110.418 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.55 -53.88 20.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.255 -0.903 . . . . 0.0 110.215 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.45 -40.44 97.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.388 -0.82 . . . . 0.0 110.147 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.426 ' CZ ' HD23 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -66.94 -44.41 80.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.839 . . . . 0.0 110.093 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.01 -30.2 70.79 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.392 -0.817 . . . . 0.0 110.088 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.32 -33.81 63.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.354 -0.841 . . . . 0.0 110.053 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.16 -34.08 74.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.408 -0.808 . . . . 0.0 110.198 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.0 mt -73.66 -49.74 24.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.339 -0.85 . . . . 0.0 110.237 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 t -63.44 162.15 13.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.33 -0.856 . . . . 0.0 110.108 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 18.3 pttt . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.326 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.167 0.508 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 p -135.02 27.29 3.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.367 -0.833 . . . . 0.0 110.272 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -166.68 163.79 16.73 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.43 -0.794 . . . . 0.0 110.173 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.4 mt -71.78 129.77 39.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.328 -0.858 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 p -83.44 176.41 9.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.314 -0.866 . . . . 0.0 110.152 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -61.41 -37.38 83.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 110.297 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.15 -44.95 86.93 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.383 -0.823 . . . . 0.0 110.216 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 6.1 mt-30 -66.84 -42.34 85.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.446 -0.784 . . . . 0.0 110.225 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.58 -31.67 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.348 -0.845 . . . . 0.0 110.052 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.56 81.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.422 -0.799 . . . . 0.0 110.078 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -67.03 -48.43 68.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.323 -0.86 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.43 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 23.2 m-85 -60.82 -37.83 83.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.343 -0.848 . . . . 0.0 110.148 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -61.06 -43.14 99.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.319 -0.863 . . . . 0.0 110.204 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.31 -53.73 53.0 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.352 -0.842 . . . . 0.0 110.159 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.28 86.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.299 -0.876 . . . . 0.0 110.149 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -68.05 -42.39 80.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.318 -0.864 . . . . 0.0 110.212 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -29.05 70.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 110.162 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 mt -63.19 -30.98 72.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.297 -0.877 . . . . 0.0 110.169 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.98 25.12 11.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.403 -0.811 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -78.13 -163.61 0.45 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.19 -0.944 . . . . 0.0 110.425 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -119.92 -38.13 3.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.459 -0.776 . . . . 0.0 110.219 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -161.71 -52.36 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.341 -0.849 . . . . 0.0 110.212 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.79 -36.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.462 -0.774 . . . . 0.0 110.21 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -52.62 -26.59 14.03 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.329 -0.857 . . . . 0.0 110.423 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.48 96.06 0.67 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 p -160.32 105.09 1.47 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.423 -1.045 . . . . 0.0 110.105 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.2 pt -109.16 149.23 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.136 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.33 158.54 26.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.407 -0.808 . . . . 0.0 110.174 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -60.78 -28.98 69.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.334 -0.853 . . . . 0.0 110.247 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -62.17 -28.38 69.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.357 -0.84 . . . . 0.0 110.221 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -93.66 -14.84 25.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.338 -0.851 . . . . 0.0 110.397 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 tp -54.5 -51.62 64.51 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.242 -0.911 . . . . 0.0 110.354 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.67 85.69 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 110.157 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -67.77 -37.81 82.6 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.327 -0.858 . . . . 0.0 110.064 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.43 -37.0 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.349 -0.844 . . . . 0.0 109.936 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.8 mtt -69.6 -35.79 75.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.404 -0.81 . . . . 0.0 109.98 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -66.1 -36.62 83.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.445 -0.785 . . . . 0.0 110.287 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -76.11 -30.86 58.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.355 -0.84 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.94 -23.18 63.16 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.339 -0.851 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.38 32.48 1.35 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.3 mt -123.36 176.3 6.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.313 -1.11 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -168.67 68.65 0.73 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.298 -0.876 . . . . 0.0 110.231 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.92 140.02 28.13 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.812 1.427 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.07 169.15 1.13 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.387 -0.82 . . . . 0.0 110.206 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.19 -29.79 68.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.36 -0.837 . . . . 0.0 110.214 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.46 -41.5 72.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.421 -0.8 . . . . 0.0 110.074 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.67 -39.73 94.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.314 -0.866 . . . . 0.0 109.861 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.34 -49.86 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.41 -0.806 . . . . 0.0 110.011 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -52.18 -43.72 64.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.328 -0.857 . . . . 0.0 110.392 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -58.01 -48.0 81.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.244 -0.91 . . . . 0.0 110.005 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.31 -50.67 64.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.339 -0.851 . . . . 0.0 109.882 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.66 -26.97 68.91 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.397 -0.814 . . . . 0.0 110.23 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.92 -38.45 79.55 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.287 -0.883 . . . . 0.0 109.842 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.2 -32.16 55.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -0.842 . . . . 0.0 109.851 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.415 HG22 ' CD2' ' A' ' 61' ' ' HIS . 6.6 mt -81.42 -62.8 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.508 -0.745 . . . . 0.0 109.809 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -57.93 121.07 9.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.394 -0.816 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -102.81 -60.17 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.4 -0.812 . . . . 0.0 110.072 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -100.9 -52.9 3.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.47 -46.07 0.02 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -121.84 122.12 38.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.279 -1.13 . . . . 0.0 110.255 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.415 ' CD2' HG22 ' A' ' 55' ' ' ILE . 5.5 t60 -129.21 125.71 37.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.397 -0.814 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -89.48 113.29 24.64 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -0.835 . . . . 0.0 110.04 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.423 HD12 HG23 ' A' ' 63' ' ' ILE . 81.6 mt -79.96 130.79 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.369 -0.832 . . . . 0.0 110.16 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -93.94 160.15 14.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.457 -0.777 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CE2' HD13 ' A' ' 69' ' ' LEU . 14.9 t80 -56.54 -32.7 65.39 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.545 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -62.2 -60.08 4.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.293 -0.879 . . . . 0.0 110.08 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.31 -33.99 75.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.333 -0.854 . . . . 0.0 110.149 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.77 -48.93 79.57 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.414 -0.804 . . . . 0.0 109.987 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.423 HD13 ' CE2' ' A' ' 65' ' ' PHE . 37.6 mt -59.92 -39.82 86.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -0.848 . . . . 0.0 110.0 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.43 61.24 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.428 -0.795 . . . . 0.0 110.061 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.7 mt -62.6 -35.88 80.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.352 -0.843 . . . . 0.0 109.979 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.43 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 74.7 mmm -63.92 -44.35 93.16 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.803 . . . . 0.0 109.975 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -61.52 -36.38 80.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.454 -0.779 . . . . 0.0 109.992 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -68.76 -29.57 67.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.456 -0.778 . . . . 0.0 109.954 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -92.61 -27.72 17.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 110.214 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.1 -8.61 58.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.428 -0.795 . . . . 0.0 110.615 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.87 -35.26 72.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.152 -0.968 . . . . 0.0 110.441 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.4 p -77.44 -56.82 4.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.336 -0.852 . . . . 0.0 110.261 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -99.62 129.35 45.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -135.7 -176.7 4.38 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.435 -0.791 . . . . 0.0 110.143 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.6 m -63.61 -36.76 84.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.353 -0.842 . . . . 0.0 110.184 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -65.52 -57.21 8.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.35 -0.844 . . . . 0.0 110.257 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.99 -38.94 80.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.276 -0.89 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.48 -32.18 72.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.273 -0.892 . . . . 0.0 110.028 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.88 -45.91 66.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.394 -0.816 . . . . 0.0 109.985 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.57 -28.2 69.47 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.97 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -45.38 68.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.46 -0.775 . . . . 0.0 110.06 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.51 72.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.334 -0.854 . . . . 0.0 110.113 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' CD1' HG22 ' A' ' 137' ' ' ILE . 9.5 m-85 -61.3 -39.84 91.96 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.316 -0.865 . . . . 0.0 110.052 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -63.78 -41.15 98.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.353 -0.842 . . . . 0.0 109.992 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.4 t -64.7 -31.6 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.438 -0.789 . . . . 0.0 110.031 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CE2' ' CG2' ' A' ' 108' ' ' VAL . 5.8 m-85 -72.18 -32.91 67.27 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.408 -0.808 . . . . 0.0 110.161 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.5 167.68 2.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.33 -0.856 . . . . 0.0 109.985 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.39 -65.31 1.17 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 0.0 110.616 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.84 -78.47 0.11 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.349 -0.844 . . . . 0.0 110.46 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.57 -44.03 0.02 OUTLIER Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.0 124.97 20.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.341 -1.094 . . . . 0.0 110.107 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -72.45 64.35 1.4 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.4 mt -112.87 110.82 21.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.34 -1.094 . . . . 0.0 110.12 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.7 160.22 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.38 -0.825 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.87 160.25 26.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.328 -0.858 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.33 -26.46 18.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.353 -0.842 . . . . 0.0 110.442 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.44 -57.29 6.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.339 -0.851 . . . . 0.0 110.175 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.72 -26.81 65.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.326 -0.859 . . . . 0.0 110.174 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.43 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.3 tp -71.25 -45.34 63.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 110.127 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -63.95 -38.45 91.13 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.437 -0.789 . . . . 0.0 110.044 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -64.69 -41.76 95.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.318 -0.864 . . . . 0.0 110.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.451 ' CG2' ' CE2' ' A' ' 92' ' ' PHE . 71.3 t -64.15 -41.71 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.305 -0.872 . . . . 0.0 110.025 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.61 -26.95 67.33 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.349 -0.844 . . . . 0.0 110.225 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.4 m -69.01 -45.34 70.76 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.3 -0.875 . . . . 0.0 110.14 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.6 m -61.09 -44.55 97.19 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.281 -0.887 . . . . 0.0 110.111 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.454 HD13 HG22 ' A' ' 112' ' ' ILE . 95.2 mt -60.24 -19.89 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.335 -0.853 . . . . 0.0 110.231 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.68 15.99 60.72 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.77 106.34 2.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.23 -1.159 . . . . 0.0 109.928 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.8 63.85 0.46 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.384 -0.822 . . . . 0.0 110.28 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 52.8 mt -97.26 108.99 21.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 110.124 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.1 p -61.31 164.93 4.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.295 -0.878 . . . . 0.0 110.209 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -61.03 -32.38 71.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.447 -0.783 . . . . 0.0 110.2 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.51 97.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -0.875 . . . . 0.0 110.207 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.98 -52.62 40.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.356 -0.84 . . . . 0.0 110.088 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.7 t -61.14 -24.71 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.321 -0.862 . . . . 0.0 110.046 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.14 -47.94 39.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.255 -0.903 . . . . 0.0 110.122 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.78 -31.7 69.78 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.423 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 5.3 ttp -80.04 -24.87 40.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 0.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.41 ' CD2' ' CD1' ' A' ' 135' ' ' ILE . 11.1 mt -74.08 -44.8 52.74 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 110.429 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -32.15 72.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.341 -0.85 . . . . 0.0 110.456 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -80.13 -20.7 44.38 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.314 -0.866 . . . . 0.0 110.562 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 72.5 t -103.88 -36.3 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.261 -0.899 . . . . 0.0 110.373 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.0 t -61.2 -82.45 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.295 -0.878 . . . . 0.0 110.391 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 51.12 25.99 2.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.215 -0.928 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.5 -95.1 0.65 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.8 t -146.95 -44.54 0.18 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -1.092 . . . . 0.0 110.323 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -170.03 -38.84 0.03 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.72 132.49 36.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.315 -1.109 . . . . 0.0 110.092 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.41 ' CD1' ' CD2' ' A' ' 125' ' ' LEU . 59.5 mt -121.45 157.77 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -0.874 . . . . 0.0 110.068 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -88.13 143.58 26.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.279 -0.888 . . . . 0.0 110.17 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.412 HG22 ' CD1' ' A' ' 89' ' ' PHE . 16.5 pt -78.93 -16.1 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.358 -0.839 . . . . 0.0 110.599 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -64.01 -56.84 12.17 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.209 -0.932 . . . . 0.0 110.426 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -60.43 -44.49 95.72 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.317 -0.864 . . . . 0.0 110.42 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.43 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -62.62 -44.73 95.54 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.48 -29.74 70.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 110.148 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.13 -35.72 36.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.422 -0.799 . . . . 0.0 110.197 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.25 -39.82 94.15 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.427 -0.796 . . . . 0.0 110.228 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.7 mt -75.79 -27.58 58.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.405 -0.81 . . . . 0.0 110.172 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -66.4 -45.21 80.76 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.441 -0.787 . . . . 0.0 110.184 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 13.1 pttt . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.305 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.187 0.517 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.33 78.12 0.23 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.333 -0.854 . . . . 0.0 110.177 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -96.94 149.16 22.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.264 -0.897 . . . . 0.0 110.168 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.9 mt -84.2 125.98 32.7 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.471 -0.768 . . . . 0.0 110.483 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -85.05 -179.61 7.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.391 -0.818 . . . . 0.0 109.846 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -61.82 -28.46 69.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.288 -0.882 . . . . 0.0 110.249 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -71.91 -46.01 59.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 110.033 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 24.9 mm-40 -69.84 -40.99 75.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 109.92 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.78 -29.29 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.466 -0.771 . . . . 0.0 109.889 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.12 72.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.345 -0.847 . . . . 0.0 109.891 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.71 -46.9 83.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.472 -0.767 . . . . 0.0 110.076 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 26.1 m-85 -60.82 -38.22 84.7 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.365 -0.834 . . . . 0.0 109.986 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -60.2 -40.2 89.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.387 -0.82 . . . . 0.0 110.065 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.67 -49.57 74.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.393 -0.817 . . . . 0.0 110.067 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.84 64.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.334 -0.853 . . . . 0.0 110.134 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CZ ' HG12 ' A' ' 27' ' ' ILE . 10.5 t80 -75.02 -34.5 61.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.82 . . . . 0.0 110.149 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -30.08 61.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.376 -0.827 . . . . 0.0 110.065 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.2 mt -62.8 -29.15 70.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.347 -0.845 . . . . 0.0 110.127 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.425 ' CZ ' HG21 ' A' ' 34' ' ' THR . 82.1 m-85 -111.41 30.89 6.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.361 -0.837 . . . . 0.0 110.242 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -138.98 91.25 2.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.321 -0.862 . . . . 0.0 110.249 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -58.71 -73.63 0.08 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.329 -0.857 . . . . 0.0 109.912 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -137.84 -119.24 0.14 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.377 -0.827 . . . . 0.0 109.371 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.4 m120 43.17 45.78 4.9 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.173 -0.954 . . . . 0.0 110.876 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.8 t30 57.26 173.17 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.315 -0.866 . . . . 0.0 110.171 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.06 88.97 0.15 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -159.95 134.16 7.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.32 -1.106 . . . . 0.0 110.476 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.42 HG12 ' CZ ' ' A' ' 16' ' ' PHE . 40.2 pt -118.54 159.24 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.369 -0.832 . . . . 0.0 110.14 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -81.92 159.42 23.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -64.01 -31.9 73.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.448 -0.782 . . . . 0.0 110.204 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.4 m -59.22 -28.44 66.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.376 -0.828 . . . . 0.0 110.207 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -92.6 -15.82 26.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.423 -0.798 . . . . 0.0 110.507 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.3 tp -55.75 -53.27 58.64 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.177 -0.952 . . . . 0.0 110.338 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.51 74.28 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.341 -0.849 . . . . 0.0 110.181 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.425 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 50.5 m -71.9 -39.92 69.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 0.0 109.993 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.22 -33.73 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.844 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.0 mtt -74.73 -34.05 62.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 0.0 109.877 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -68.2 -31.55 71.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.446 -0.784 . . . . 0.0 110.083 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 m -79.77 -33.18 40.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.417 -0.802 . . . . 0.0 110.151 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.29 -24.9 68.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.424 -0.797 . . . . 0.0 110.292 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.97 35.22 0.97 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.3 mt -121.86 -178.42 3.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -1.135 . . . . 0.0 110.118 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.64 68.27 0.86 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.333 -0.854 . . . . 0.0 110.108 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.42 137.64 25.9 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 O-C-N 123.667 1.351 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.93 168.42 2.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -59.33 -28.23 66.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.305 -0.872 . . . . 0.0 110.083 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.73 -39.34 70.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.362 -0.836 . . . . 0.0 109.994 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.7 -40.1 88.35 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.382 -0.824 . . . . 0.0 110.022 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.0 -40.81 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.36 -0.838 . . . . 0.0 109.96 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -62.98 -38.71 92.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.364 -0.835 . . . . 0.0 110.074 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.89 -47.57 82.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.437 -0.79 . . . . 0.0 110.023 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.13 -45.68 92.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.016 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.5 mtt -66.16 -28.17 68.57 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.37 -0.831 . . . . 0.0 109.819 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -65.99 -40.18 90.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.468 -0.77 . . . . 0.0 109.86 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -72.96 -31.36 64.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 109.981 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.418 HG22 ' CD2' ' A' ' 61' ' ' HIS . 17.8 mt -85.92 -60.07 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.394 -0.817 . . . . 0.0 109.97 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -71.66 101.81 2.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.379 -0.825 . . . . 0.0 110.206 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.8 t -99.95 -37.34 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.367 -0.833 . . . . 0.0 110.2 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -138.53 41.69 2.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.12 28.74 72.65 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -166.21 98.54 0.62 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.33 -1.1 . . . . 0.0 110.205 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.418 ' CD2' HG22 ' A' ' 55' ' ' ILE . 4.0 t60 -165.46 103.79 0.72 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.362 -0.836 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -82.46 136.59 34.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.889 . . . . 0.0 109.99 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.8 mt -87.55 122.46 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.274 -0.891 . . . . 0.0 110.271 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.42 160.2 18.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 109.937 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -58.05 -25.77 61.63 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.292 -0.88 . . . . 0.0 110.418 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.0 t -72.24 -52.73 15.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.31 -0.869 . . . . 0.0 110.09 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -64.27 -33.03 74.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.432 -0.793 . . . . 0.0 110.003 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -64.45 -50.5 67.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.309 -0.87 . . . . 0.0 110.091 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.79 -34.09 72.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.155 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.11 -47.16 59.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.435 -0.791 . . . . 0.0 110.077 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mt -61.72 -39.93 93.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.363 -0.836 . . . . 0.0 110.066 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.445 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 88.0 mmm -65.21 -36.49 84.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 110.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.8 t -61.81 -43.77 98.19 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.455 -0.778 . . . . 0.0 110.026 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -69.25 -27.0 65.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -0.81 . . . . 0.0 110.199 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -87.15 -38.84 16.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.311 -0.868 . . . . 0.0 110.247 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.42 -26.91 68.17 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.265 -0.897 . . . . 0.0 110.232 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.46 118.14 36.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.425 -0.797 . . . . 0.0 110.115 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.7 t -133.11 171.88 13.41 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.397 -0.814 . . . . 0.0 110.383 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -107.35 -169.99 1.63 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.364 -0.835 . . . . 0.0 110.211 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.82 -168.07 2.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.374 -0.829 . . . . 0.0 110.298 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.9 t -66.12 -48.79 69.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 110.246 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -59.47 -54.66 44.01 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.308 -0.87 . . . . 0.0 110.155 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -58.38 -27.36 64.17 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.331 -0.856 . . . . 0.0 110.144 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.74 -45.0 84.24 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.416 -0.802 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.56 -49.5 70.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.362 -0.836 . . . . 0.0 110.057 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.66 -30.71 70.07 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.341 -0.85 . . . . 0.0 110.019 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -64.91 -46.88 79.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.491 -0.756 . . . . 0.0 110.089 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.49 93.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.333 -0.854 . . . . 0.0 110.071 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.415 ' CD1' HG22 ' A' ' 137' ' ' ILE . 9.9 m-85 -60.11 -28.82 68.16 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.384 -0.823 . . . . 0.0 110.213 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -73.63 -41.67 62.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.399 -0.813 . . . . 0.0 110.102 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.2 t -60.47 -39.13 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.4 -0.813 . . . . 0.0 110.097 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CD1' HG21 ' A' ' 108' ' ' VAL . 12.2 m-85 -70.69 -25.04 62.79 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.414 -0.803 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -66.74 146.67 54.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.333 -0.854 . . . . 0.0 110.287 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -60.03 -62.83 1.58 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 110.155 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -106.23 -153.05 0.48 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.35 -0.844 . . . . 0.0 110.055 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -90.98 47.56 2.94 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.92 -155.48 0.57 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -1.104 . . . . 0.0 110.162 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.54 55.38 0.61 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.9 mt -140.92 110.31 6.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -1.118 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.37 160.58 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.33 -0.856 . . . . 0.0 110.185 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 t -79.45 160.26 26.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 110.292 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.48 -32.32 49.63 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.422 -0.799 . . . . 0.0 110.494 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.96 65.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.385 -0.822 . . . . 0.0 109.97 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -63.19 -34.46 77.69 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.344 -0.848 . . . . 0.0 110.035 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.422 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -66.17 -39.36 89.69 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 0.0 110.139 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -67.36 -38.15 84.34 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.84 . . . . 0.0 110.132 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -69.47 -36.7 76.81 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.402 -0.811 . . . . 0.0 110.157 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.417 HG21 ' CD1' ' A' ' 92' ' ' PHE . 80.3 t -67.27 -38.18 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.38 -0.825 . . . . 0.0 110.134 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.0 -37.97 78.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.412 -0.805 . . . . 0.0 110.067 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.5 m -80.03 -29.84 39.39 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.351 -0.843 . . . . 0.0 110.247 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -67.76 -42.68 81.38 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.327 -0.858 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.5 mt -62.24 -29.62 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.29 -0.881 . . . . 0.0 109.949 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.76 30.42 23.82 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.4 164.04 27.23 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.44 -1.035 . . . . 0.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 57.93 4.77 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.329 -0.857 . . . . 0.0 110.174 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.5 mt -131.1 105.63 7.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.409 -0.807 . . . . 0.0 110.174 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.0 p -65.24 -177.72 0.41 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.361 -0.837 . . . . 0.0 110.273 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.63 -34.19 75.31 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.393 -0.817 . . . . 0.0 110.194 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.389 -0.82 . . . . 0.0 110.185 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.53 -51.23 68.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.33 -0.856 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.3 t -61.77 -27.35 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.83 . . . . 0.0 109.9 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.55 -48.02 61.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.494 -0.754 . . . . 0.0 109.981 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.23 -29.19 70.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.381 -0.824 . . . . 0.0 110.029 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.405 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 3.3 mtp -79.16 -35.18 42.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.353 -0.842 . . . . 0.0 110.003 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.23 -39.91 95.95 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.455 -0.778 . . . . 0.0 110.167 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -61.64 -40.41 94.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.299 -0.876 . . . . 0.0 110.154 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.22 -34.84 36.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.445 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.7 t -79.97 -29.48 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.337 -0.852 . . . . 0.0 110.266 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.7 t -61.21 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.343 -0.848 . . . . 0.0 110.18 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -110.19 -29.69 8.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.829 . . . . 0.0 110.16 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -75.04 -106.98 0.1 OUTLIER Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.4 t -164.81 -46.68 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.317 -1.108 . . . . 0.0 110.214 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.43 -72.2 0.51 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -81.95 142.25 32.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.426 -1.044 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 81.1 mt -105.97 148.93 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.369 -0.832 . . . . 0.0 110.082 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -82.3 120.27 25.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.448 -0.783 . . . . 0.0 110.214 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 89' ' ' PHE . 7.3 pt -62.66 -17.78 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.259 -0.9 . . . . 0.0 110.431 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -57.38 -46.97 82.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 110.376 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -69.49 -50.55 44.21 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.885 . . . . 0.0 110.171 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.422 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.67 -37.27 83.46 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.346 -0.846 . . . . 0.0 110.039 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.04 98.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.085 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.15 93.72 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.358 -0.839 . . . . 0.0 110.09 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.8 mt -63.77 -36.03 82.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.865 . . . . 0.0 110.148 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.3 mt -79.31 -47.97 14.92 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.416 -0.803 . . . . 0.0 110.275 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.1 p -61.45 -73.18 0.1 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.347 -0.846 . . . . 0.0 110.16 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.186 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.24 0.543 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.08 56.96 1.26 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 110.152 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -121.04 -169.75 1.89 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.411 -0.806 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mt -56.1 142.62 35.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.339 -0.85 . . . . 0.0 110.454 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 p -77.06 170.8 15.88 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.399 -0.813 . . . . 0.0 110.177 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.18 -40.07 92.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.31 -0.869 . . . . 0.0 110.232 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -62.21 -47.05 86.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.305 -0.872 . . . . 0.0 110.018 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.406 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 15.3 mm-40 -66.13 -44.97 82.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.441 -0.787 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.19 -29.82 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.406 -0.809 . . . . 0.0 109.95 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.8 83.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.802 . . . . 0.0 109.958 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -48.32 74.3 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.468 -0.77 . . . . 0.0 110.068 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.425 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 25.4 m-85 -61.91 -37.3 84.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.365 -0.835 . . . . 0.0 110.024 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -60.51 -40.63 92.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.427 -0.796 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.51 -49.29 71.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.386 -0.821 . . . . 0.0 110.233 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.56 -33.69 71.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.334 -0.854 . . . . 0.0 110.31 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.41 ' CE1' HG23 ' A' ' 27' ' ' ILE . 14.0 t80 -71.22 -39.92 71.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.262 -0.899 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.66 -28.48 64.82 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.433 -0.792 . . . . 0.0 110.262 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.3 -32.65 73.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.349 -0.845 . . . . 0.0 110.248 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' CZ ' HG21 ' A' ' 34' ' ' THR . 80.3 m-85 -106.54 26.94 9.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.328 -0.857 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -120.55 145.69 47.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -68.17 -81.16 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.251 -0.906 . . . . 0.0 110.227 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -174.05 -64.12 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.139 -0.976 . . . . 0.0 110.215 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -61.85 -51.75 66.95 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.467 -0.77 . . . . 0.0 110.342 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -87.75 133.74 33.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.343 -0.848 . . . . 0.0 110.33 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.01 41.28 2.21 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.9 p -125.45 155.8 39.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.381 -1.07 . . . . 0.0 110.202 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.41 HG23 ' CE1' ' A' ' 16' ' ' PHE . 42.6 pt -126.72 158.05 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.388 -0.82 . . . . 0.0 110.171 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 m -81.81 159.93 23.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.247 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -40.04 93.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.352 -0.843 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -25.99 35.2 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.352 -0.843 . . . . 0.0 110.397 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -94.45 -17.23 22.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.339 -0.851 . . . . 0.0 110.448 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.66 -50.27 73.71 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.194 -0.941 . . . . 0.0 110.451 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.46 85.59 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.441 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 45.3 m -66.85 -38.79 87.04 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.389 -0.819 . . . . 0.0 110.064 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.66 -38.27 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.387 -0.821 . . . . 0.0 109.933 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.2 mtt -68.47 -36.08 78.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.42 -0.8 . . . . 0.0 109.979 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -66.92 -32.12 73.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.458 -0.776 . . . . 0.0 110.051 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 m -79.47 -35.07 40.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.119 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.43 -26.31 67.91 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.261 -0.899 . . . . 0.0 110.096 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.47 34.78 0.98 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.4 mt -119.66 179.67 4.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.351 -1.088 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -167.52 68.18 0.87 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.37 -0.831 . . . . 0.0 110.252 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.46 138.49 27.17 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.741 1.39 . . . . 0.0 110.346 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -60.37 167.96 2.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.324 -0.86 . . . . 0.0 110.223 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.84 -26.89 64.6 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.289 -0.882 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.64 -41.13 65.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.408 -0.807 . . . . 0.0 110.161 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.38 -37.28 86.54 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.387 -0.82 . . . . 0.0 110.066 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.03 -45.47 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.414 -0.804 . . . . 0.0 109.913 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.98 -39.09 90.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.449 -0.782 . . . . 0.0 110.028 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -63.19 -46.16 88.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.96 -45.91 91.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.393 -0.817 . . . . 0.0 110.119 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.7 mtt -65.11 -29.13 69.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.377 -0.827 . . . . 0.0 109.902 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -65.33 -42.57 92.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.496 -0.753 . . . . 0.0 110.052 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.71 -44.95 72.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.385 -0.822 . . . . 0.0 109.801 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.42 HG23 ' CD2' ' A' ' 61' ' ' HIS . 12.8 mt -65.57 -61.04 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.489 -0.757 . . . . 0.0 109.772 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -64.91 87.07 0.06 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.383 -0.823 . . . . 0.0 110.211 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.1 t -71.5 -68.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -0.839 . . . . 0.0 110.188 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -94.18 -58.43 2.23 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.341 -0.849 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -156.75 -47.27 0.01 OUTLIER Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -115.82 148.47 39.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.354 -1.086 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.42 ' CD2' HG23 ' A' ' 55' ' ' ILE . 4.2 t60 -167.76 110.28 0.62 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.837 . . . . 0.0 110.194 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -82.93 125.8 31.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.317 -0.864 . . . . 0.0 110.022 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.3 mt -79.99 116.46 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.28 -0.887 . . . . 0.0 110.294 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -85.07 160.24 20.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.366 -0.834 . . . . 0.0 110.032 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CE2' HD13 ' A' ' 69' ' ' LEU . 13.8 t80 -56.34 -26.18 51.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.317 -0.865 . . . . 0.0 110.362 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -50.44 23.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -0.856 . . . . 0.0 109.991 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.57 -34.76 78.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.378 -0.826 . . . . 0.0 110.077 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.89 -51.68 60.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.124 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.422 HD13 ' CE2' ' A' ' 65' ' ' PHE . 42.2 mt -56.32 -38.18 70.95 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.351 -0.843 . . . . 0.0 110.115 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.83 73.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.954 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -62.61 -41.49 99.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.429 -0.795 . . . . 0.0 110.072 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.425 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 96.1 mmm -64.9 -30.6 71.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.092 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -44.85 76.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.417 -0.802 . . . . 0.0 110.2 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 3.4 ptm180 -61.24 -38.61 87.26 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 109.904 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 2.6 mt-30 -78.59 -47.48 17.1 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.493 -0.755 . . . . 0.0 110.112 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.53 73.99 7.43 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.416 -0.803 . . . . 0.0 110.035 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -129.89 -153.65 0.58 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.411 -0.806 . . . . 0.0 110.133 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.5 m 56.12 58.21 4.51 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.319 -0.863 . . . . 0.0 110.324 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -130.6 114.56 15.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.366 -0.834 . . . . 0.0 110.174 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.43 91.88 1.03 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 0.0 110.305 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.5 m -79.95 -36.17 36.6 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.859 . . . . 0.0 110.106 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -58.46 -38.23 77.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.44 -0.788 . . . . 0.0 110.231 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.8 -39.44 94.26 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.075 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.46 -48.03 83.01 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.392 -0.817 . . . . 0.0 110.125 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -45.92 90.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.317 -0.864 . . . . 0.0 110.018 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.79 -27.91 69.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.322 -0.861 . . . . 0.0 110.02 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.58 -46.34 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.427 -0.795 . . . . 0.0 110.063 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.95 -48.19 82.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.367 -0.833 . . . . 0.0 110.133 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -60.92 -28.57 69.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.399 -0.813 . . . . 0.0 110.132 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -70.59 -42.58 70.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.817 . . . . 0.0 110.051 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.42 -39.78 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.838 . . . . 0.0 110.102 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.45 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 9.2 m-85 -67.02 -29.83 69.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.338 -0.851 . . . . 0.0 110.214 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -79.58 129.45 34.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.836 . . . . 0.0 110.194 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.42 -27.0 10.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.389 -0.819 . . . . 0.0 110.214 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.86 -33.76 72.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 0.0 110.242 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.01 35.74 6.25 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -130.48 6.98 4.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.336 -1.096 . . . . 0.0 110.593 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 61.54 38.76 96.34 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.4 mt -128.72 113.81 15.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.419 -1.048 . . . . 0.0 110.23 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.44 HD13 HG23 ' A' ' 100' ' ' ILE . 46.4 pt -127.43 160.27 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m -79.7 160.45 26.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.85 . . . . 0.0 110.196 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.13 -35.08 33.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.44 -0.787 . . . . 0.0 110.56 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.6 85.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.368 -0.833 . . . . 0.0 110.004 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.51 -38.07 89.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.386 -0.821 . . . . 0.0 109.847 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.422 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.6 tp -61.24 -38.81 88.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 0.0 110.065 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -69.23 -40.64 77.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.421 -0.799 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -67.15 -27.4 67.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.4 -0.812 . . . . 0.0 110.187 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.45 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 89.0 t -75.09 -47.17 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.347 -0.846 . . . . 0.0 110.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.6 mt -63.2 -28.98 70.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.141 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.7 m -80.04 -31.87 39.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 0.0 110.214 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.96 -38.97 66.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.296 -0.877 . . . . 0.0 110.179 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.11 -26.78 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.36 -0.837 . . . . 0.0 110.082 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.32 31.03 32.07 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.26 161.73 30.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.377 -1.072 . . . . 0.0 110.263 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.7 60.58 5.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.845 . . . . 0.0 110.16 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 81.6 mt -135.53 118.52 16.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.4 p -81.78 -178.22 6.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 0.0 110.105 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -27.94 69.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.331 -0.856 . . . . 0.0 110.152 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.32 -43.97 84.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.331 -0.855 . . . . 0.0 110.078 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.63 -48.59 76.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.0 110.121 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.09 -30.83 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.372 -0.83 . . . . 0.0 109.901 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.24 -47.31 80.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.376 -0.827 . . . . 0.0 109.981 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.35 -30.33 71.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.377 -0.827 . . . . 0.0 109.892 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.411 ' HE3' ' CE1' ' A' ' 140' ' ' PHE . 1.1 ttp -80.13 -34.4 37.8 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.42 -0.8 . . . . 0.0 109.995 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.04 -37.07 86.08 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.435 -0.791 . . . . 0.0 110.218 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -66.19 -31.18 71.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.366 -0.834 . . . . 0.0 110.226 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -80.05 -32.6 39.4 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.419 -0.8 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.9 t -90.46 -26.77 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.309 -0.87 . . . . 0.0 110.309 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.3 p -61.66 117.38 5.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.279 -0.888 . . . . 0.0 110.198 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.02 -29.1 11.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.431 -0.793 . . . . 0.0 110.19 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 110.68 39.56 1.43 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.97 -57.01 2.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.34 -1.094 . . . . 0.0 110.208 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 160.08 -50.06 0.38 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -114.21 152.13 31.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.438 -1.037 . . . . 0.0 110.184 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 80.8 mt -105.93 143.66 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 110.065 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.35 125.12 32.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.369 -0.832 . . . . 0.0 110.19 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.9 pt -64.75 -18.6 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.385 -0.822 . . . . 0.0 110.468 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -59.55 -41.94 91.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.115 -0.99 . . . . 0.0 110.198 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.72 -46.12 48.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.311 -0.868 . . . . 0.0 110.089 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.422 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.94 -45.42 85.87 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.372 -0.83 . . . . 0.0 110.018 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.32 -31.97 73.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.392 -0.817 . . . . 0.0 110.064 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.79 62.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.392 -0.817 . . . . 0.0 110.197 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.3 mt -68.57 -35.98 78.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.184 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.91 -29.04 39.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 110.251 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.0 t -103.23 47.23 0.89 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.428 -0.795 . . . . 0.0 110.249 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.5 tttt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.164 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.2 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.172 0.511 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -162.28 124.11 2.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 0.0 110.21 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 52.87 -170.75 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.328 -0.857 . . . . 0.0 110.459 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 mt -53.71 133.26 41.99 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.323 -0.861 . . . . 0.0 110.433 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -72.03 172.19 10.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.365 -0.835 . . . . 0.0 110.078 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.16 -34.15 75.86 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 110.168 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.9 -46.06 76.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.076 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.51 -42.99 86.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.325 -0.86 . . . . 0.0 110.096 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -66.1 -33.41 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.447 -0.783 . . . . 0.0 109.909 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -33.44 74.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.364 -0.835 . . . . 0.0 109.944 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -68.0 -49.21 62.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.077 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.442 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 27.2 m-85 -61.52 -36.09 79.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.333 -0.854 . . . . 0.0 110.028 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 13.5 ttmt -62.22 -42.01 98.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.348 -0.845 . . . . 0.0 110.185 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.95 -51.91 66.17 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -0.886 . . . . 0.0 110.135 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.86 85.46 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.324 -0.86 . . . . 0.0 110.157 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CE1' HG22 ' A' ' 27' ' ' ILE . 7.6 t80 -67.13 -40.05 86.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.323 -0.861 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.64 -27.75 65.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.364 -0.835 . . . . 0.0 110.221 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -63.34 -34.69 78.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.229 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 34' ' ' THR . 85.3 m-85 -107.36 27.98 8.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.29 -0.881 . . . . 0.0 110.217 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -125.52 98.06 5.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.397 -0.814 . . . . 0.0 110.155 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -115.22 58.91 0.71 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.404 -0.81 . . . . 0.0 110.203 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -138.63 12.9 2.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.35 -0.843 . . . . 0.0 110.538 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 51.48 54.5 10.96 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.156 -0.965 . . . . 0.0 110.652 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -158.44 -60.61 0.08 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.321 -0.862 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.26 56.17 0.15 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -149.64 140.57 22.85 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.372 -1.075 . . . . 0.0 110.198 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.417 HG22 ' CE1' ' A' ' 16' ' ' PHE . 40.1 pt -128.1 157.5 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.399 -0.813 . . . . 0.0 110.231 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.86 160.17 18.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.425 -0.797 . . . . 0.0 110.32 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -36.32 72.28 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.366 -0.834 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -57.02 -27.18 61.4 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.385 -0.822 . . . . 0.0 110.333 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -98.78 -17.98 18.2 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.31 -0.868 . . . . 0.0 110.358 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.17 -48.48 78.63 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.321 -0.862 . . . . 0.0 110.375 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.24 80.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.311 -0.868 . . . . 0.0 110.205 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.418 HG23 ' CZ ' ' A' ' 19' ' ' PHE . 51.8 m -68.14 -37.87 81.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.33 -36.05 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.36 -0.837 . . . . 0.0 109.91 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.8 mtt -73.62 -37.5 65.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.865 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.35 -30.39 70.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.421 -0.799 . . . . 0.0 110.115 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -33.87 38.94 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.379 -0.825 . . . . 0.0 110.16 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.29 -27.96 66.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.343 -0.848 . . . . 0.0 110.215 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.96 39.86 0.4 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -126.33 177.81 6.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.291 -1.123 . . . . 0.0 110.095 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p -167.47 67.22 0.84 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.389 -0.82 . . . . 0.0 110.189 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.5 137.56 25.57 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 O-C-N 123.857 1.451 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -66.29 174.43 2.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.294 -0.879 . . . . 0.0 110.133 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -59.49 -28.49 67.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.278 -0.889 . . . . 0.0 110.11 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.68 69.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.372 -0.83 . . . . 0.0 110.021 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -68.64 -36.11 78.17 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.094 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -68.04 -39.4 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.366 -0.834 . . . . 0.0 109.936 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -63.84 -40.01 95.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.432 -0.792 . . . . 0.0 109.969 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.48 -47.06 87.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.378 -0.826 . . . . 0.0 110.056 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.31 -46.87 84.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.337 -0.852 . . . . 0.0 109.999 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.2 mtt -66.85 -28.28 68.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.398 -0.814 . . . . 0.0 109.917 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -67.02 -36.21 81.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.433 -0.792 . . . . 0.0 109.935 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -79.39 -30.36 42.42 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.445 -0.784 . . . . 0.0 109.95 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.427 HG23 ' CD2' ' A' ' 61' ' ' HIS . 10.6 mt -88.51 -64.41 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.47 -0.769 . . . . 0.0 109.944 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -60.94 108.62 0.89 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.343 -0.848 . . . . 0.0 110.267 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.8 t -100.15 -50.77 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.831 . . . . 0.0 110.202 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -113.51 26.81 10.08 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.376 -0.827 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.46 -34.12 5.36 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -121.02 136.09 55.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.283 -1.128 . . . . 0.0 110.3 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.427 ' CD2' HG23 ' A' ' 55' ' ' ILE . 4.8 t60 -168.02 126.35 1.2 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 110.134 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -96.7 120.53 37.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.466 -0.771 . . . . 0.0 110.044 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.43 HD11 HG21 ' A' ' 63' ' ' ILE . 84.0 mt -80.05 133.63 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.388 -0.82 . . . . 0.0 110.199 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.49 160.16 14.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.417 -0.802 . . . . 0.0 110.029 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.421 ' CE2' ' HE3' ' A' ' 13' ' ' LYS . 17.6 t80 -56.97 -36.36 70.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.873 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.3 p -62.54 -55.86 23.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.399 -0.813 . . . . 0.0 110.011 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.49 -29.4 70.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 0.0 110.044 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -68.66 -47.62 66.05 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.306 -0.871 . . . . 0.0 110.06 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.406 HD12 ' CE2' ' A' ' 65' ' ' PHE . 42.2 mt -59.56 -37.76 79.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.425 -0.797 . . . . 0.0 110.001 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.37 -45.34 76.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.407 -0.808 . . . . 0.0 110.014 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.19 -42.11 98.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.395 -0.816 . . . . 0.0 110.037 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.442 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 93.4 mmm -62.05 -39.41 92.28 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.386 -0.822 . . . . 0.0 110.028 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -41.84 96.2 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.389 -0.82 . . . . 0.0 110.057 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -67.48 -31.08 70.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.338 -0.851 . . . . 0.0 110.048 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -79.32 -45.08 20.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.387 -0.82 . . . . 0.0 110.042 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.1 mt -61.33 -28.0 68.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.369 -0.832 . . . . 0.0 110.117 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 113.6 25.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 0.0 110.007 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.7 p -63.15 -74.33 0.1 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.326 -0.859 . . . . 0.0 110.263 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -168.01 119.33 0.83 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.362 -0.836 . . . . 0.0 110.219 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -150.37 71.13 1.05 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -0.855 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.6 t -69.34 -22.26 63.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.383 -0.823 . . . . 0.0 110.239 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -58.1 -50.69 72.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.366 -0.834 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -51.88 -43.9 63.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.43 -0.794 . . . . 0.0 110.471 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.94 -43.31 96.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.353 -0.842 . . . . 0.0 110.07 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -37.09 83.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.334 -0.854 . . . . 0.0 110.119 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.25 -32.97 74.52 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.408 -0.808 . . . . 0.0 110.155 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.35 -46.37 55.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.392 -0.817 . . . . 0.0 110.136 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.3 93.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 110.202 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' CD1' HG21 ' A' ' 137' ' ' ILE . 9.6 m-85 -61.95 -35.65 79.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.341 -0.85 . . . . 0.0 110.175 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -62.96 -43.2 99.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 110.186 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.64 -32.15 56.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.411 -0.805 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -73.46 -28.0 61.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.402 -0.811 . . . . 0.0 110.141 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 95' ' ' ASN . 11.6 t70 -74.36 -29.66 61.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.361 -0.837 . . . . 0.0 110.2 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.15 -69.94 0.09 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.506 -0.746 . . . . 0.0 110.522 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 93' ' ' ASP . 24.1 t-20 -53.58 -37.98 63.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.187 -0.945 . . . . 0.0 110.417 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.55 43.06 4.35 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.46 -28.39 11.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.341 -1.094 . . . . 0.0 110.161 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.86 32.98 7.25 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mt -143.52 134.03 24.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.42 -1.047 . . . . 0.0 110.153 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.7 pt -146.34 160.22 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.406 -0.809 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.9 m -79.78 160.36 26.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.385 -0.822 . . . . 0.0 110.189 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.24 -27.42 14.8 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.37 -0.831 . . . . 0.0 110.428 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.83 39.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.366 -0.834 . . . . 0.0 110.032 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.96 -37.5 87.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 109.93 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -66.26 -39.25 89.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.382 -0.824 . . . . 0.0 110.086 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -65.47 -39.9 92.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.333 -0.855 . . . . 0.0 110.096 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -67.4 -31.83 72.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.326 -0.859 . . . . 0.0 110.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 68.0 t -70.78 -42.98 77.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.368 -0.833 . . . . 0.0 110.029 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -29.96 70.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.414 -0.803 . . . . 0.0 110.166 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.7 m -78.47 -43.19 27.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.267 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -44.03 97.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.332 -0.855 . . . . 0.0 110.176 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.31 -25.18 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.4 -0.812 . . . . 0.0 110.173 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.49 36.73 58.82 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 169.79 1.44 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.406 -1.055 . . . . 0.0 110.235 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 47.61 1.35 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.355 -0.841 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 84.6 mt -124.77 159.3 31.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.417 -0.802 . . . . 0.0 110.228 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 12.8 p -122.73 -171.73 2.34 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.364 -0.835 . . . . 0.0 110.186 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.04 -37.47 85.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.402 -0.811 . . . . 0.0 110.128 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.32 99.09 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.322 -0.861 . . . . 0.0 110.099 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.83 -49.45 65.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.391 -0.818 . . . . 0.0 110.064 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -65.06 -28.93 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.364 -0.835 . . . . 0.0 109.998 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.56 -41.92 75.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.349 -0.844 . . . . 0.0 109.97 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.61 -30.82 67.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.855 . . . . 0.0 109.949 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.5 mtp -75.71 -38.41 58.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 110.053 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.69 -35.27 79.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.353 -0.842 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -67.09 -42.13 85.13 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.368 -0.832 . . . . 0.0 110.136 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -29.98 38.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.351 -0.843 . . . . 0.0 110.215 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.7 t -89.75 -62.15 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.166 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.01 97.49 0.17 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.223 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -163.72 30.16 0.08 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.446 -0.784 . . . . 0.0 110.204 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -122.89 -89.31 0.92 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.2 m -116.56 -35.87 4.12 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.35 -1.088 . . . . 0.0 110.234 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 150.29 -37.37 0.92 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -82.08 113.7 20.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.414 -1.051 . . . . 0.0 110.187 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 135' ' ' ILE . 84.8 mt -91.14 141.29 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.121 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -86.33 138.49 31.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -0.847 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.412 HG21 ' CD1' ' A' ' 89' ' ' PHE . 18.1 pt -67.58 -21.3 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.445 -0.785 . . . . 0.0 110.411 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -59.92 -52.83 63.76 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.211 -0.93 . . . . 0.0 110.291 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -63.29 -49.88 72.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.339 -0.851 . . . . 0.0 110.204 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.424 ' CE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -60.91 -45.82 93.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.339 -0.851 . . . . 0.0 110.176 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.75 71.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.857 . . . . 0.0 110.16 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.02 -32.71 39.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.322 -0.861 . . . . 0.0 110.125 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.38 -40.11 95.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.348 -0.845 . . . . 0.0 110.159 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 146' ' ' LYS . 88.1 mt -74.03 -67.8 0.58 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.42 -0.8 . . . . 0.0 110.097 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.8 t 53.81 -88.8 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.41 -0.806 . . . . 0.0 110.677 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.017 -1.052 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.254 0.55 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.97 43.36 0.05 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.341 -0.85 . . . . 0.0 110.243 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.62 105.91 0.6 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.387 -0.821 . . . . 0.0 110.154 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.25 125.97 25.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.391 -0.818 . . . . 0.0 110.219 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.14 161.57 28.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.793 . . . . 0.0 110.265 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -52.42 -50.17 63.09 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.709 0.766 . . . . 0.0 109.785 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -54.38 -42.65 70.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.724 -0.61 . . . . 0.0 110.594 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 64.7 mt-30 -70.45 -42.71 71.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 109.982 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.1 mt -66.15 -29.47 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.419 -0.801 . . . . 0.0 109.854 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.36 -39.23 71.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.415 -0.803 . . . . 0.0 109.988 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -63.54 -47.3 82.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.424 -0.797 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 26.4 m-85 -61.11 -39.62 90.68 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.381 -0.824 . . . . 0.0 110.089 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -59.09 -40.47 85.37 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.425 -0.797 . . . . 0.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -62.3 -51.54 67.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.423 -0.798 . . . . 0.0 110.038 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -25.67 63.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.885 . . . . 0.0 110.154 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' A' ' 27' ' ' ILE . 18.9 t80 -78.64 -33.25 47.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.332 -0.855 . . . . 0.0 110.161 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.76 -28.53 55.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.386 -0.821 . . . . 0.0 110.248 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.38 -28.09 69.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.197 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CZ ' HG21 ' A' ' 34' ' ' THR . 95.8 m-85 -114.91 32.82 5.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.367 -0.833 . . . . 0.0 110.153 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -118.81 167.16 11.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.384 -0.823 . . . . 0.0 110.115 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -87.51 5.94 36.66 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.505 -0.747 . . . . 0.0 110.632 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 52.7 40.22 29.91 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.106 -0.996 . . . . 0.0 110.415 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -132.67 -47.46 0.88 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.41 -0.806 . . . . 0.0 110.192 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -118.59 -44.24 2.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.398 -0.814 . . . . 0.0 110.174 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.07 46.2 0.56 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -139.26 149.64 44.53 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.307 -1.114 . . . . 0.0 110.151 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' A' ' 16' ' ' PHE . 43.7 pt -125.36 159.48 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.369 -0.832 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -81.51 157.0 25.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.373 -0.83 . . . . 0.0 110.173 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -62.26 -29.14 70.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.307 -0.87 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -62.75 -33.83 75.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.412 -0.805 . . . . 0.0 110.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -86.23 -17.19 35.44 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.348 -0.845 . . . . 0.0 110.375 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -53.47 -50.33 65.54 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.909 . . . . 0.0 110.37 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.78 84.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.326 -0.859 . . . . 0.0 110.098 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.409 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 63.6 m -68.48 -37.13 79.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.0 110.021 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.42 -37.96 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.296 -0.878 . . . . 0.0 109.925 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.6 mtt -70.52 -35.89 73.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 109.947 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -65.67 -37.93 87.89 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.498 -0.751 . . . . 0.0 110.142 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -79.97 -28.75 39.54 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.108 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.2 mt -72.13 -23.56 61.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.358 -0.839 . . . . 0.0 110.313 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.97 33.53 1.14 Allowed Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.6 mt -124.2 172.24 9.21 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -1.131 . . . . 0.0 110.152 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -163.55 63.89 1.27 Allowed Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.346 -0.846 . . . . 0.0 110.215 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.36 138.06 26.74 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.81 1.426 . . . . 0.0 110.423 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.13 170.75 1.52 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.37 -0.831 . . . . 0.0 110.039 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -27.97 68.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.359 -0.838 . . . . 0.0 110.107 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.03 79.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.441 -0.787 . . . . 0.0 110.041 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -67.1 -38.84 86.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.832 . . . . 0.0 109.974 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -66.23 -38.3 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.386 -0.821 . . . . 0.0 109.91 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -34.15 77.38 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.381 -0.824 . . . . 0.0 109.974 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.25 -47.7 72.9 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.365 -0.834 . . . . 0.0 110.048 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.49 -39.9 95.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.374 -0.829 . . . . 0.0 109.978 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mtt -69.63 -27.64 65.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.426 -0.796 . . . . 0.0 109.993 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.43 -40.01 77.51 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.515 -0.74 . . . . 0.0 110.036 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -74.5 -30.96 62.01 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.371 -0.83 . . . . 0.0 109.86 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.428 HG23 ' CD2' ' A' ' 61' ' ' HIS . 37.5 mt -81.37 -60.84 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.411 -0.806 . . . . 0.0 109.884 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -60.37 104.48 0.33 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.399 -0.813 . . . . 0.0 110.238 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.0 t -97.2 -65.73 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.384 -0.822 . . . . 0.0 110.138 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.79 29.83 3.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.398 -0.814 . . . . 0.0 110.202 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.02 -59.89 0.63 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -102.94 137.3 41.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.422 -1.046 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CD2' HG23 ' A' ' 55' ' ' ILE . 4.7 t60 -161.6 124.26 3.05 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.416 -0.802 . . . . 0.0 110.164 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -92.22 127.43 37.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.292 -0.88 . . . . 0.0 109.949 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.4 mt -79.86 124.6 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.226 -0.921 . . . . 0.0 110.189 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -87.68 160.11 18.25 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.326 -0.858 . . . . 0.0 110.148 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.417 ' CE2' HD13 ' A' ' 69' ' ' LEU . 15.7 t80 -58.3 -24.65 60.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.39 -0.819 . . . . 0.0 110.395 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.7 t -73.73 -51.27 17.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.89 -30.53 71.15 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.222 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -69.67 -47.97 61.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.374 -0.829 . . . . 0.0 110.123 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' A' ' 65' ' ' PHE . 49.2 mt -60.06 -36.08 76.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.203 -0.936 . . . . 0.0 110.09 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.52 -47.42 48.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 0.0 110.089 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.94 -34.33 74.55 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.4 -0.813 . . . . 0.0 110.08 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.421 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 79.0 mmm -70.62 -36.44 73.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.83 . . . . 0.0 110.072 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -37.69 88.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.402 -0.811 . . . . 0.0 110.145 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.92 -28.33 57.97 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.376 -0.828 . . . . 0.0 110.259 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -89.34 -27.51 20.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.389 -0.82 . . . . 0.0 110.243 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.8 mt -74.7 -17.49 60.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.371 -0.831 . . . . 0.0 110.458 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.89 19.34 7.79 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.21 -0.931 . . . . 0.0 110.527 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -114.56 -26.23 7.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.253 -0.904 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -62.73 123.32 18.12 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.355 -0.84 . . . . 0.0 110.242 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.09 62.25 2.8 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.313 -0.867 . . . . 0.0 110.458 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.15 -27.01 63.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.318 -0.864 . . . . 0.0 110.234 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.15 -50.78 72.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.339 -0.851 . . . . 0.0 110.185 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -52.65 -42.06 64.35 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.324 -0.86 . . . . 0.0 110.401 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.355 -0.841 . . . . 0.0 110.148 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.82 -37.91 87.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.477 -0.765 . . . . 0.0 110.16 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.8 mt -63.06 -36.3 83.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.383 -0.823 . . . . 0.0 110.218 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -67.4 -46.78 72.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.433 -0.792 . . . . 0.0 110.158 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.05 99.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.364 -0.835 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.407 ' CD1' ' CG2' ' A' ' 137' ' ' ILE . 3.3 m-85 -61.02 -37.34 82.23 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.285 -0.885 . . . . 0.0 110.218 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -65.64 -40.49 92.56 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.353 -0.842 . . . . 0.0 110.173 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.27 -31.21 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.299 -0.876 . . . . 0.0 110.115 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 6.3 m-85 -76.64 -27.61 55.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.329 -0.857 . . . . 0.0 110.232 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.26 162.71 25.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.412 -0.805 . . . . 0.0 110.152 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 96' ' ' GLY . 4.5 tptt -114.54 146.21 41.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.375 -0.828 . . . . 0.0 110.183 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 65.51 -68.3 0.12 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.491 -0.756 . . . . 0.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 148.8 61.05 0.01 OUTLIER Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -108.0 -28.26 9.67 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -1.042 . . . . 0.0 110.237 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.33 29.88 59.48 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.6 mt -130.96 108.06 9.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.376 -1.073 . . . . 0.0 110.16 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.402 HD12 ' CE1' ' A' ' 89' ' ' PHE . 42.4 pt -116.89 160.22 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.327 -0.858 . . . . 0.0 110.174 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 m -79.79 160.22 26.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.841 . . . . 0.0 110.22 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.35 -33.01 51.83 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.374 -0.829 . . . . 0.0 110.451 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.06 -53.27 52.4 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.261 -0.899 . . . . 0.0 110.099 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.53 -29.23 68.99 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.373 -0.83 . . . . 0.0 110.095 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 1.3 tp -67.18 -44.85 78.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.419 -0.801 . . . . 0.0 110.188 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -65.65 -40.6 92.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.426 -0.796 . . . . 0.0 110.16 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -63.22 -31.49 72.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.381 -0.824 . . . . 0.0 110.232 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.449 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 72.5 t -77.76 -44.74 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.337 -0.852 . . . . 0.0 110.125 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -28.96 66.16 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.394 -0.816 . . . . 0.0 110.225 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.5 m -80.27 -37.1 33.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.329 -0.857 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.6 m -62.45 -40.13 95.6 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.403 -0.811 . . . . 0.0 110.175 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 63.1 mt -64.24 -27.12 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.347 -0.846 . . . . 0.0 110.103 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.84 32.83 52.64 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.69 -178.86 0.6 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.339 -1.095 . . . . 0.0 110.136 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.0 37.04 1.7 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.362 -0.836 . . . . 0.0 110.214 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.6 mt -101.65 101.36 11.87 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.4 p -61.14 177.25 0.36 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.369 -0.832 . . . . 0.0 110.143 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.91 -29.84 69.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.365 -0.834 . . . . 0.0 110.172 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.58 89.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.376 -0.827 . . . . 0.0 110.299 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -61.6 -47.74 84.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.4 -0.813 . . . . 0.0 110.228 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.28 -31.97 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.388 -0.82 . . . . 0.0 110.126 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -43.34 78.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.38 -0.825 . . . . 0.0 110.166 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.63 -28.26 63.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.204 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.414 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 2.8 mtp -79.94 -29.99 39.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.377 -0.827 . . . . 0.0 110.158 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.7 mt -73.76 -39.53 64.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 110.26 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -65.73 -30.84 71.56 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.352 -0.843 . . . . 0.0 110.164 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.98 -32.79 39.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.149 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 61.5 t -94.06 -59.88 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.353 -0.842 . . . . 0.0 110.101 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 t -61.87 120.6 11.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.329 -0.857 . . . . 0.0 110.189 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -160.72 65.83 0.31 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.419 -0.801 . . . . 0.0 110.199 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 179.34 -91.43 0.08 OUTLIER Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.1 t -110.24 -26.59 9.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -1.11 . . . . 0.0 110.291 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 132.62 -8.31 5.26 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -79.77 103.17 9.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.186 -1.185 . . . . 0.0 110.212 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 13.7 mt -95.1 150.33 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.341 -0.849 . . . . 0.0 110.13 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.63 146.07 25.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.336 -0.852 . . . . 0.0 110.135 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.407 ' CG2' ' CD1' ' A' ' 89' ' ' PHE . 3.0 pt -78.73 -18.27 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -0.832 . . . . 0.0 110.505 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -71.51 -49.74 38.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.268 -0.895 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -62.3 -45.7 92.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 110.206 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.42 ' CZ ' HD23 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -65.84 -41.72 91.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.37 -0.831 . . . . 0.0 110.119 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.99 -29.34 70.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.383 -0.823 . . . . 0.0 110.132 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.71 -33.92 52.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 110.07 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.61 -35.24 79.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.403 -0.811 . . . . 0.0 110.099 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.38 -29.04 63.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 110.216 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m -116.82 -76.34 0.57 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.355 -0.84 . . . . 0.0 110.222 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.172 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.203 0.525 . . . . 0.0 110.198 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -95.53 60.03 2.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.392 -0.818 . . . . 0.0 110.185 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -113.77 90.44 3.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.324 -0.86 . . . . 0.0 110.096 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.3 mt -77.23 132.24 38.62 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.365 -0.835 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 p -89.7 179.96 5.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.424 -0.798 . . . . 0.0 109.989 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -61.22 -36.69 80.63 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.354 -0.841 . . . . 0.0 110.15 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.4 -48.69 74.45 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 109.916 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -65.6 -44.98 84.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.377 -0.827 . . . . 0.0 109.93 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.95 -29.74 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.384 -0.823 . . . . 0.0 109.824 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.25 85.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 0.0 109.907 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.51 -50.39 72.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.435 -0.79 . . . . 0.0 109.979 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -58.6 -37.61 76.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.341 -0.85 . . . . 0.0 110.101 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 12.2 ttmt -63.53 -37.68 88.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.429 -0.794 . . . . 0.0 110.184 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -61.9 -53.54 54.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.344 -0.848 . . . . 0.0 110.153 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.44 -33.83 75.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.336 -0.852 . . . . 0.0 110.068 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE1' HG23 ' A' ' 27' ' ' ILE . 8.8 t80 -69.5 -35.52 75.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.349 -0.844 . . . . 0.0 110.193 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.43 -27.39 60.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.351 -0.843 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.5 -46.6 86.37 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CZ ' HG21 ' A' ' 34' ' ' THR . 93.0 m-85 -87.48 -26.65 23.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.393 -0.817 . . . . 0.0 110.201 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -81.92 100.13 9.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 0.0 110.155 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -81.57 -64.29 1.22 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.847 . . . . 0.0 110.2 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -143.98 47.21 1.43 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.386 -0.821 . . . . 0.0 110.207 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -105.02 39.42 1.71 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.372 -0.83 . . . . 0.0 110.226 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m120 51.71 37.03 19.11 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.352 -0.843 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.06 48.32 15.99 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -144.73 144.59 31.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -1.088 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.423 HG23 ' CE1' ' A' ' 16' ' ' PHE . 38.0 pt -126.21 155.53 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.427 -0.796 . . . . 0.0 110.169 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -81.01 160.1 24.66 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.401 -0.812 . . . . 0.0 110.277 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -38.25 82.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.401 -0.812 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -25.58 42.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.387 -0.821 . . . . 0.0 110.431 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -97.27 -17.66 19.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.331 -0.856 . . . . 0.0 110.374 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.4 tp -56.56 -51.41 68.7 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.282 -0.886 . . . . 0.0 110.449 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.79 -37.97 77.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.327 -0.858 . . . . 0.0 110.122 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.429 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 36.5 m -67.28 -38.32 84.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -0.83 . . . . 0.0 109.887 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.6 t -59.75 -40.77 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.384 -0.823 . . . . 0.0 109.914 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.3 mtt -67.97 -35.75 78.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.389 -0.819 . . . . 0.0 109.824 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -68.07 -37.58 81.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.401 -0.812 . . . . 0.0 110.195 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 m -78.45 -33.06 48.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.89 . . . . 0.0 110.203 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.29 -27.22 65.22 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.386 -0.821 . . . . 0.0 110.209 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.17 33.91 1.19 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -117.69 176.09 5.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.343 -1.092 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 m -164.97 70.55 1.42 Allowed Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.385 -0.822 . . . . 0.0 109.954 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.9 140.27 34.76 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.749 1.394 . . . . 0.0 110.432 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -58.16 161.69 4.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.315 -0.865 . . . . 0.0 110.135 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -57.17 -27.96 62.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.31 -0.869 . . . . 0.0 110.03 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.93 -38.1 66.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 109.915 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.01 -36.91 84.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.351 -0.843 . . . . 0.0 109.92 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.31 -48.1 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.44 -0.788 . . . . 0.0 109.93 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -62.76 -41.63 99.31 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.402 -0.811 . . . . 0.0 109.968 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.59 -42.34 95.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.41 -0.806 . . . . 0.0 110.019 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.8 mt -63.19 -43.2 98.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 109.857 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 mtt -67.91 -28.75 67.77 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.455 -0.778 . . . . 0.0 109.9 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -39.46 87.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.484 -0.76 . . . . 0.0 110.001 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -73.45 -31.29 63.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.413 -0.805 . . . . 0.0 109.793 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.413 HG21 ' CD2' ' A' ' 61' ' ' HIS . 13.6 mt -85.55 -61.49 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.546 -0.721 . . . . 0.0 109.809 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -61.39 108.94 1.02 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.84 . . . . 0.0 110.197 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.0 t -108.98 -64.28 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.417 -0.802 . . . . 0.0 110.203 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -90.14 -35.66 15.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.297 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 169.11 -82.49 0.09 OUTLIER Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -90.34 92.83 9.08 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.363 -1.081 . . . . 0.0 110.302 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.413 ' CD2' HG21 ' A' ' 55' ' ' ILE . 5.0 t60 -103.69 127.92 51.1 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.297 -0.877 . . . . 0.0 110.05 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -95.3 123.32 38.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.448 -0.782 . . . . 0.0 110.06 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.1 mt -79.82 126.29 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.356 -0.84 . . . . 0.0 110.175 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -88.09 160.12 17.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.424 -0.797 . . . . 0.0 110.134 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.415 ' CE2' HD13 ' A' ' 69' ' ' LEU . 19.8 t80 -57.13 -26.04 59.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.36 -0.837 . . . . 0.0 110.334 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.5 p -71.8 -54.86 8.83 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.336 -0.852 . . . . 0.0 110.05 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -63.32 -30.44 71.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.385 -0.822 . . . . 0.0 110.252 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -70.16 -44.96 67.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 110.081 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.415 HD13 ' CE2' ' A' ' 65' ' ' PHE . 45.9 mt -60.24 -38.03 82.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 110.041 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.83 -49.86 54.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.393 -0.817 . . . . 0.0 110.014 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.02 -38.58 83.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.341 -0.849 . . . . 0.0 110.082 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.2 mmm -63.22 -40.32 97.12 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.329 -0.857 . . . . 0.0 110.165 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.1 m -60.74 -45.53 93.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.31 -0.869 . . . . 0.0 110.207 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 mtt85 -64.42 -28.53 69.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.32 -0.862 . . . . 0.0 110.067 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -89.98 -20.55 23.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.377 -0.827 . . . . 0.0 110.471 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.8 mt -91.41 15.74 11.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.241 -0.912 . . . . 0.0 110.58 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -168.43 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.163 -0.96 . . . . 0.0 110.301 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -94.41 -155.65 0.47 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.451 -0.781 . . . . 0.0 110.207 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 52.51 93.53 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.398 -0.814 . . . . 0.0 110.461 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.28 106.91 17.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.346 -0.846 . . . . 0.0 110.184 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.2 m -74.29 -11.4 60.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.358 -0.838 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.97 -58.94 6.34 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.226 -0.921 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -59.75 -24.71 64.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.306 -0.871 . . . . 0.0 110.231 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.28 -41.01 70.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.0 110.143 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -43.27 74.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -0.885 . . . . 0.0 110.141 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 mt -66.54 -28.93 68.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.046 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -43.43 71.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.375 -0.828 . . . . 0.0 110.175 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.09 -48.81 77.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.26 -0.9 . . . . 0.0 110.222 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -62.32 -28.72 69.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.431 -0.793 . . . . 0.0 110.198 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -67.36 -45.69 75.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.365 -0.834 . . . . 0.0 110.134 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.07 -38.0 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -0.824 . . . . 0.0 110.063 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.441 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 9.5 m-85 -70.22 -26.63 63.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.396 -0.815 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -80.97 137.7 36.09 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 110.226 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -73.61 -29.5 62.42 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 0.0 110.208 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -110.54 -177.35 3.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.839 . . . . 0.0 110.258 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.51 35.74 4.86 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -104.44 -34.98 8.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.38 -1.07 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.41 53.01 0.84 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mt -134.41 99.65 4.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.416 -1.049 . . . . 0.0 110.211 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.5 pt -117.98 160.27 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.376 -0.827 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.7 t -79.69 160.17 26.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.341 -0.85 . . . . 0.0 110.232 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.45 -34.12 60.86 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.377 -0.827 . . . . 0.0 110.476 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -59.52 5.26 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.293 -0.879 . . . . 0.0 110.091 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -58.6 -26.9 64.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.411 -0.806 . . . . 0.0 110.114 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.431 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 4.0 tp -68.47 -44.73 74.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.402 -0.811 . . . . 0.0 110.04 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -65.93 -37.12 85.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 109.955 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -66.29 -31.49 72.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.436 -0.79 . . . . 0.0 110.145 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.441 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 65.1 t -78.84 -42.63 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.427 -0.795 . . . . 0.0 110.156 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -33.4 74.48 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.417 -0.802 . . . . 0.0 110.216 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 m -79.98 -34.62 38.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.325 -0.86 . . . . 0.0 110.317 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.9 t -65.88 -44.26 85.85 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.295 -0.878 . . . . 0.0 110.146 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.99 -24.72 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.313 -0.867 . . . . 0.0 110.13 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.17 31.46 57.41 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.51 166.18 4.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.42 -1.047 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 59.52 5.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.368 -0.833 . . . . 0.0 110.212 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.6 mt -136.52 142.38 43.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.847 . . . . 0.0 110.205 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.4 p -100.71 174.83 5.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.313 -0.867 . . . . 0.0 110.206 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.26 -37.0 74.09 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.376 -0.828 . . . . 0.0 110.204 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.15 96.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.381 -0.824 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.44 -47.6 81.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.312 -0.867 . . . . 0.0 109.98 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.6 t -61.73 -26.93 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.344 -0.848 . . . . 0.0 109.922 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.93 -49.91 53.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.081 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -33.3 75.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 0.0 110.088 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.8 ttp -74.77 -33.41 62.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.409 -0.807 . . . . 0.0 110.067 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.93 -44.69 88.66 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 110.02 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -62.18 -29.09 70.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.427 -0.796 . . . . 0.0 110.186 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -80.04 -39.57 29.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 59.6 t -87.49 -59.38 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 0.0 110.167 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.9 t -66.61 87.75 0.13 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.815 . . . . 0.0 110.186 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.23 -27.87 69.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.196 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -109.58 -106.71 3.03 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.44 -36.89 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.355 -1.085 . . . . 0.0 110.465 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -56.35 -97.26 0.01 OUTLIER Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.44 158.97 15.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.283 -1.128 . . . . 0.0 110.357 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.421 HG21 HD12 ' A' ' 135' ' ' ILE . 83.9 mt -131.02 158.38 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 109.985 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -92.83 128.54 38.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.307 -0.871 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.7 pt -79.91 -9.86 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.367 -0.833 . . . . 0.0 110.616 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -59.99 -56.91 15.8 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.145 -0.972 . . . . 0.0 110.387 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -32.69 64.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.344 -0.847 . . . . 0.0 109.816 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.431 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 2.0 t80 -70.04 -41.25 74.48 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.329 -0.857 . . . . 0.0 109.894 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.78 94.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -0.879 . . . . 0.0 109.827 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.49 98.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.43 -0.794 . . . . 0.0 110.086 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.0 mt -62.43 -35.83 80.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.401 -0.812 . . . . 0.0 110.13 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.25 -66.93 0.79 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 110.154 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.1 p 49.34 -158.03 0.07 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.488 -0.757 . . . . 0.0 110.674 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.452 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.204 0.526 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.4 p -81.09 100.04 8.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.356 -0.84 . . . . 0.0 110.199 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.07 115.52 25.61 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.355 -0.84 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.9 mt -61.2 129.29 40.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.387 -0.821 . . . . 0.0 110.309 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.409 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -69.65 161.43 29.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.407 -0.808 . . . . 0.0 110.245 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -52.29 -50.07 62.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.486 -0.759 . . . . 0.0 109.753 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 13.6 pt-20 -54.18 -43.17 70.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.684 -0.635 . . . . 0.0 110.572 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 10.2 mm100 -68.43 -45.22 73.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.333 -0.854 . . . . 0.0 110.036 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.8 mt -65.46 -32.8 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.357 -0.84 . . . . 0.0 109.846 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.88 95.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.465 -0.772 . . . . 0.0 109.988 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.74 -49.99 70.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.433 -0.792 . . . . 0.0 110.144 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.2 m-85 -60.76 -41.01 94.62 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.35 -0.844 . . . . 0.0 110.19 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 2.7 ttmm -61.75 -38.34 87.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.328 -0.857 . . . . 0.0 110.206 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -61.08 -51.38 69.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 0.0 110.16 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.57 -34.25 73.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.435 -0.791 . . . . 0.0 110.112 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' CE1' HG22 ' A' ' 27' ' ' ILE . 5.0 t80 -68.61 -50.12 54.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.361 -0.837 . . . . 0.0 110.271 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.69 -29.94 70.42 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.287 -0.883 . . . . 0.0 110.203 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.82 -32.02 73.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.868 . . . . 0.0 110.238 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CZ ' HG21 ' A' ' 34' ' ' THR . 43.3 m-85 -102.77 25.4 9.27 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 0.0 110.226 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -125.26 131.16 53.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.3 -0.875 . . . . 0.0 110.113 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -60.89 -91.52 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.364 -0.835 . . . . 0.0 110.301 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -174.11 35.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.002 -1.061 . . . . 0.0 110.136 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -95.01 -63.05 1.21 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.271 -0.893 . . . . 0.0 110.302 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -139.69 -61.28 0.54 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.288 -0.883 . . . . 0.0 110.268 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.87 55.93 0.01 OUTLIER Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 p -133.43 145.99 50.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.324 -1.104 . . . . 0.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.405 HG22 ' CE1' ' A' ' 16' ' ' PHE . 40.6 pt -126.44 157.54 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.332 -0.855 . . . . 0.0 110.219 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 m -84.18 160.16 20.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.181 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -39.94 84.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.39 -0.819 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.9 t -54.88 -24.77 24.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.382 -0.824 . . . . 0.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -95.3 -21.58 18.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.337 -0.852 . . . . 0.0 110.304 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -54.7 -53.65 52.14 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.27 -0.894 . . . . 0.0 110.434 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.07 77.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.247 -0.908 . . . . 0.0 110.173 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.415 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 37.7 m -69.32 -39.28 78.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.363 -0.836 . . . . 0.0 110.005 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.9 t -62.05 -34.3 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.332 -0.855 . . . . 0.0 109.774 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.3 mtt -72.61 -35.37 67.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.386 -0.821 . . . . 0.0 109.797 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -66.15 -30.82 71.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.405 -0.809 . . . . 0.0 110.093 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.7 m -79.06 -35.96 41.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.407 -0.808 . . . . 0.0 110.142 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.81 -22.25 66.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.796 . . . . 0.0 110.278 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.22 34.82 0.99 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -126.25 176.63 6.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -1.06 . . . . 0.0 110.129 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -167.93 65.56 0.71 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.373 -0.829 . . . . 0.0 110.225 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.75 137.34 24.62 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.775 1.408 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 m -62.61 176.07 0.71 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.395 -0.815 . . . . 0.0 110.104 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -33.57 74.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.365 -0.834 . . . . 0.0 110.048 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.68 92.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.847 . . . . 0.0 109.972 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.62 -41.62 92.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.394 -0.816 . . . . 0.0 109.901 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.2 t -64.06 -38.73 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.4 -0.812 . . . . 0.0 109.811 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -61.98 -38.78 89.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 109.894 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.99 -51.61 67.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.404 -0.81 . . . . 0.0 110.005 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.45 -43.57 98.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.393 -0.817 . . . . 0.0 109.99 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.5 mtt -67.59 -37.17 82.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.341 -0.849 . . . . 0.0 110.016 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -64.26 -27.71 69.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.4 -0.813 . . . . 0.0 110.201 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -86.65 -23.39 25.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -0.84 . . . . 0.0 110.204 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.426 HG23 ' CD2' ' A' ' 61' ' ' HIS . 3.7 mt -89.16 -50.2 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.863 . . . . 0.0 110.269 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -56.56 127.37 30.93 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.342 -0.849 . . . . 0.0 110.735 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.0 t -128.95 -41.51 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.42 -0.8 . . . . 0.0 109.947 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -113.63 -32.69 6.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.314 -0.866 . . . . 0.0 110.322 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.34 -48.61 0.09 OUTLIER Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -122.83 -49.19 1.99 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.316 -1.108 . . . . 0.0 110.432 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.426 ' CD2' HG23 ' A' ' 55' ' ' ILE . 5.8 t60 55.98 106.33 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.5 -0.75 . . . . 0.0 110.57 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -79.77 129.45 34.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.893 . . . . 0.0 110.025 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.5 mt -79.84 139.76 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.302 -0.874 . . . . 0.0 110.204 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.46 160.07 15.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.366 -0.834 . . . . 0.0 110.063 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CE2' HD13 ' A' ' 69' ' ' LEU . 14.7 t80 -57.84 -26.78 62.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.329 -0.857 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 t -71.28 -55.27 8.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.402 -0.811 . . . . 0.0 110.069 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -65.02 -31.61 72.93 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.36 -0.838 . . . . 0.0 110.079 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.38 -48.39 67.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.372 -0.83 . . . . 0.0 110.08 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.423 HD13 ' CE2' ' A' ' 65' ' ' PHE . 39.5 mt -59.37 -37.41 77.86 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.305 -0.872 . . . . 0.0 110.117 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.97 -47.21 72.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.511 -0.743 . . . . 0.0 110.051 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.97 -38.39 90.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.318 -0.864 . . . . 0.0 110.099 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.9 mmm -66.65 -42.0 87.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.19 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 t -64.64 -29.33 70.33 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.324 -0.86 . . . . 0.0 110.254 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -76.91 -29.07 55.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.371 -0.83 . . . . 0.0 110.087 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -93.15 -27.66 16.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.382 -0.823 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.16 -29.19 42.92 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.332 -0.855 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -100.19 -168.54 1.6 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.365 -0.834 . . . . 0.0 110.224 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 p 51.26 43.78 29.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.487 -0.758 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -71.98 123.2 22.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.372 -0.83 . . . . 0.0 110.24 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -126.99 -163.56 1.26 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.252 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -15.7 62.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -0.813 . . . . 0.0 110.458 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -54.51 -58.16 8.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.214 -0.929 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.57 -32.46 71.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.278 -0.889 . . . . 0.0 110.129 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -67.64 -34.17 76.43 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.443 -0.785 . . . . 0.0 110.068 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.21 -48.88 64.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.45 -0.781 . . . . 0.0 110.066 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.02 -33.38 71.93 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.369 -0.832 . . . . 0.0 110.119 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -68.03 -48.42 65.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.412 -0.805 . . . . 0.0 110.148 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.83 -44.55 92.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.353 -0.842 . . . . 0.0 110.023 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.405 ' CD1' ' CG2' ' A' ' 137' ' ' ILE . 3.5 m-85 -62.39 -40.36 96.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.343 -0.848 . . . . 0.0 110.083 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -60.86 -36.64 79.67 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.315 -0.866 . . . . 0.0 110.12 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.0 t -68.36 -37.09 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.363 -0.836 . . . . 0.0 109.826 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CG ' HG22 ' A' ' 108' ' ' VAL . 9.6 m-85 -77.91 -28.81 49.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.378 -0.826 . . . . 0.0 110.044 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.41 -32.28 17.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.412 -0.805 . . . . 0.0 110.411 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.51 -122.98 2.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.28 -0.887 . . . . 0.0 109.598 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -98.78 44.57 1.02 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.703 -1.248 . . . . 0.0 110.074 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.56 29.1 10.16 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.37 25.96 2.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.364 -1.08 . . . . 0.0 110.491 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.87 49.37 29.05 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mt -146.7 110.83 5.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.333 -1.099 . . . . 0.0 110.204 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.5 pt -122.69 160.15 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.332 -0.855 . . . . 0.0 110.244 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -79.77 160.31 26.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.42 28.32 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.347 -0.846 . . . . 0.0 110.539 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.51 -59.75 4.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.405 -0.81 . . . . 0.0 110.044 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.99 -29.63 67.37 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.364 -0.835 . . . . 0.0 110.04 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' A' ' 140' ' ' PHE . 2.1 tp -68.44 -43.04 77.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.463 -0.773 . . . . 0.0 110.079 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -64.85 -40.75 95.65 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.409 -0.807 . . . . 0.0 110.078 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -63.75 -33.78 76.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.371 -0.83 . . . . 0.0 110.155 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.427 HG22 ' CG ' ' A' ' 92' ' ' PHE . 76.9 t -71.94 -49.59 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.366 -0.834 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.0 -37.46 79.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.432 -0.793 . . . . 0.0 110.162 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.7 m -72.06 -42.76 65.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.418 -0.802 . . . . 0.0 110.183 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.7 t -62.08 -44.52 96.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.431 -0.793 . . . . 0.0 110.156 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 87.6 mt -62.44 -23.69 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.422 -0.799 . . . . 0.0 110.177 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.55 33.88 63.6 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.6 161.41 3.62 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.444 -1.033 . . . . 0.0 110.371 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.16 57.26 4.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.397 -0.814 . . . . 0.0 110.162 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.6 mt -130.18 167.86 17.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 0.0 110.395 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.5 p -124.79 -167.7 1.71 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.4 -0.813 . . . . 0.0 110.271 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.98 -33.12 63.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.386 -0.821 . . . . 0.0 110.2 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.88 79.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.374 -0.829 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.63 -46.22 66.71 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.331 -0.856 . . . . 0.0 110.115 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.04 -25.98 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.408 -0.807 . . . . 0.0 109.948 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.34 -49.27 28.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.027 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.09 -32.2 72.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.393 -0.817 . . . . 0.0 110.03 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.406 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 23.1 ttp -72.67 -28.84 62.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.793 . . . . 0.0 110.026 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.0 mt -74.57 -38.38 62.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.446 -0.784 . . . . 0.0 110.093 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -69.03 -27.9 66.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -0.887 . . . . 0.0 110.231 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -80.16 -26.53 39.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.89 . . . . 0.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 58.5 t -98.97 -30.74 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.383 -0.823 . . . . 0.0 110.144 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.4 t -63.54 140.95 58.92 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.321 -0.862 . . . . 0.0 110.221 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -162.99 -43.47 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.403 -0.811 . . . . 0.0 110.22 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -73.96 -81.49 0.43 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.83 -70.86 0.13 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.398 -1.06 . . . . 0.0 110.258 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.96 32.77 1.99 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -130.19 130.27 44.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.347 -1.09 . . . . 0.0 110.169 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.464 HD11 HG21 ' A' ' 135' ' ' ILE . 80.4 mt -134.08 143.26 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.37 -0.831 . . . . 0.0 110.217 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -82.13 149.11 28.15 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.36 -0.838 . . . . 0.0 110.082 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.405 ' CG2' ' CD1' ' A' ' 89' ' ' PHE . 21.1 pt -80.04 -21.51 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.36 -0.838 . . . . 0.0 110.364 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -59.44 -54.91 41.18 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.249 -0.907 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -62.14 -43.43 98.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.308 -0.87 . . . . 0.0 110.204 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.43 ' CE1' HD22 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.55 -45.14 84.53 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.403 -0.811 . . . . 0.0 109.975 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.91 -33.07 72.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.324 -0.86 . . . . 0.0 110.185 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.95 -27.5 39.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.29 -0.881 . . . . 0.0 110.187 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.25 -33.09 71.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.416 -0.803 . . . . 0.0 110.188 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.4 mt -73.16 -69.27 0.43 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.421 -0.799 . . . . 0.0 110.159 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.7 t 51.94 -166.84 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.308 -0.87 . . . . 0.0 110.548 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.222 0.534 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -92.31 48.52 1.41 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.892 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -78.18 -172.63 2.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.383 -0.823 . . . . 0.0 110.211 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mt -53.74 158.29 1.99 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.317 -0.864 . . . . 0.0 110.502 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.416 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -93.68 162.75 13.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.395 -0.816 . . . . 0.0 110.163 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.8 -49.72 62.17 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.695 0.759 . . . . 0.0 109.68 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.416 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 11.0 pt-20 -57.51 -42.68 83.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.786 -0.571 . . . . 0.0 110.456 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.405 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 32.2 mt-30 -69.88 -45.07 68.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.417 -0.802 . . . . 0.0 109.923 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -66.0 -28.17 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.513 -0.742 . . . . 0.0 109.81 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.26 -38.69 71.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.835 . . . . 0.0 109.87 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -64.82 -48.49 74.2 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 0.0 110.11 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.6 m-85 -62.03 -37.89 86.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.255 -0.903 . . . . 0.0 109.934 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' CE ' ' CE2' ' A' ' 65' ' ' PHE . 11.3 ttmt -61.07 -40.93 95.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.42 -0.8 . . . . 0.0 110.221 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.22 -50.28 72.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -0.825 . . . . 0.0 110.059 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.45 76.99 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 110.061 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -69.34 -47.07 65.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.818 . . . . 0.0 110.179 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -28.93 70.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.423 -0.798 . . . . 0.0 110.174 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.25 -37.73 84.15 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.347 -0.846 . . . . 0.0 110.169 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CZ ' HG23 ' A' ' 34' ' ' THR . 91.5 m-85 -104.88 26.74 8.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.34 -0.85 . . . . 0.0 110.169 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -119.63 60.96 0.84 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.407 -0.808 . . . . 0.0 110.123 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -98.75 30.07 3.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 0.0 110.265 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -102.69 14.51 31.77 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.317 -0.864 . . . . 0.0 110.445 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 m120 51.39 69.97 0.59 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.288 -0.882 . . . . 0.0 110.604 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -167.88 -50.03 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.361 -0.837 . . . . 0.0 110.205 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.99 35.73 1.32 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -151.32 159.39 44.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.464 -1.021 . . . . 0.0 110.105 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 pt -124.11 159.87 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.433 -0.792 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -90.29 160.24 16.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.347 -0.846 . . . . 0.0 110.362 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -35.82 73.37 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.343 -0.848 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.02 -25.64 61.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.382 -0.824 . . . . 0.0 110.299 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -99.99 -15.25 18.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.388 -0.82 . . . . 0.0 110.502 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.39 -46.53 83.33 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.201 -0.937 . . . . 0.0 110.404 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.26 90.63 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.296 -0.878 . . . . 0.0 110.254 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.419 HG23 ' CZ ' ' A' ' 19' ' ' PHE . 71.2 m -62.55 -38.06 88.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.362 -0.836 . . . . 0.0 110.09 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.11 -41.49 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.366 -0.834 . . . . 0.0 109.831 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.0 mtt -68.95 -33.85 74.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.403 -0.81 . . . . 0.0 109.762 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -73.58 -37.06 65.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 110.042 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.77 -33.98 71.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.469 -0.769 . . . . 0.0 110.004 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.86 -36.57 83.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -0.788 . . . . 0.0 110.056 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.09 -12.2 1.64 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 mt -81.11 -176.48 5.97 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.144 -1.209 . . . . 0.0 110.165 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 m -168.94 66.65 0.64 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.408 -0.808 . . . . 0.0 110.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.74 137.75 25.27 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 O-C-N 123.738 1.388 . . . . 0.0 110.387 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 m -61.81 175.08 0.7 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 110.155 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.13 -27.33 68.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.255 -0.903 . . . . 0.0 110.115 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.87 68.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.375 -0.828 . . . . 0.0 110.102 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -66.15 -36.74 83.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.439 -0.788 . . . . 0.0 110.194 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.5 t -66.8 -40.5 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.367 -0.833 . . . . 0.0 110.081 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.84 -42.04 98.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.425 -0.797 . . . . 0.0 110.068 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -59.96 -47.95 83.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 0.0 110.045 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.44 -46.99 83.74 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.429 -0.794 . . . . 0.0 109.963 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.9 mtt -64.34 -30.03 71.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.377 -0.827 . . . . 0.0 109.874 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.07 -42.35 97.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.453 -0.779 . . . . 0.0 109.896 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -67.05 -40.8 87.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.403 -0.81 . . . . 0.0 109.934 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.418 HG22 ' CD2' ' A' ' 61' ' ' HIS . 6.7 mt -75.35 -59.5 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 0.0 109.875 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -69.66 95.46 0.87 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 110.049 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.27 -58.65 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.321 -0.862 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -110.99 45.4 1.17 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.354 -0.841 . . . . 0.0 110.189 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.26 27.62 67.87 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -168.62 109.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.326 -1.102 . . . . 0.0 110.168 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.418 ' CD2' HG22 ' A' ' 55' ' ' ILE . 3.8 t-160 -167.75 103.86 0.49 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -0.853 . . . . 0.0 110.29 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -79.99 142.12 35.32 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.431 -0.793 . . . . 0.0 109.975 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.0 mt -98.39 119.84 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.209 -0.932 . . . . 0.0 110.351 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.87 160.16 17.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.394 -0.816 . . . . 0.0 109.85 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CE2' HD13 ' A' ' 69' ' ' LEU . 13.9 t80 -56.3 -25.24 47.87 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.29 -0.882 . . . . 0.0 110.492 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.4 p -71.89 -51.05 24.14 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.277 -0.89 . . . . 0.0 110.15 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.53 -35.26 78.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.37 -0.831 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -63.36 -47.09 83.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.37 -0.831 . . . . 0.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD13 ' CE2' ' A' ' 65' ' ' PHE . 43.7 mt -61.24 -39.73 91.41 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.289 -0.882 . . . . 0.0 110.0 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.5 -46.07 70.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.419 -0.8 . . . . 0.0 110.047 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.3 mt -63.45 -36.19 82.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.413 -0.804 . . . . 0.0 110.136 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.8 mmm -67.74 -40.8 84.13 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.334 -0.854 . . . . 0.0 110.139 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -39.64 95.3 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.354 -0.841 . . . . 0.0 110.12 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -63.81 -36.99 85.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.825 . . . . 0.0 110.143 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -83.95 -36.73 23.05 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 110.184 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -27.0 68.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.342 -0.849 . . . . 0.0 110.173 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.59 79.75 0.58 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.36 -0.838 . . . . 0.0 110.068 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.6 t -159.65 176.43 12.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 110.196 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -105.57 175.3 5.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.218 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.97 112.82 19.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.381 -0.824 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -42.89 22.77 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.358 -0.839 . . . . 0.0 110.24 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -62.86 -56.99 12.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.46 -0.775 . . . . 0.0 110.139 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -59.47 -27.14 65.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.38 -0.825 . . . . 0.0 110.213 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.03 -41.22 77.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 110.068 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -42.66 86.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.277 -0.889 . . . . 0.0 110.176 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.69 -35.95 81.35 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.45 -0.781 . . . . 0.0 110.018 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.93 -46.14 69.0 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.824 . . . . 0.0 110.093 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.1 99.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.302 -0.873 . . . . 0.0 110.031 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -64.57 -32.55 74.25 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.377 -0.827 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -65.52 -40.13 92.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.328 -0.858 . . . . 0.0 110.131 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.88 -36.59 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.375 -0.828 . . . . 0.0 110.038 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.97 -32.03 68.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 110.162 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.91 137.67 35.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.399 -0.813 . . . . 0.0 110.197 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -74.88 -45.37 43.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.165 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -86.1 -176.35 5.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.364 -0.835 . . . . 0.0 110.212 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.06 33.43 5.73 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.63 -31.85 10.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.348 -1.089 . . . . 0.0 110.2 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.81 67.63 0.8 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 31.1 mt -144.69 110.37 5.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.35 -1.088 . . . . 0.0 110.172 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 pt -132.34 160.05 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.362 -0.836 . . . . 0.0 110.358 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.78 160.12 26.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.378 -0.826 . . . . 0.0 110.201 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.23 -28.37 58.18 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.294 -0.879 . . . . 0.0 110.353 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.59 -56.84 11.33 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.422 -0.799 . . . . 0.0 110.082 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -61.61 -32.54 72.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.825 . . . . 0.0 110.036 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.429 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -67.29 -37.52 83.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.402 -0.812 . . . . 0.0 110.103 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -72.16 -33.88 68.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -70.32 -29.89 66.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 110.175 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.9 t -79.16 -33.04 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.434 -0.791 . . . . 0.0 110.185 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.59 -28.14 60.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.39 -0.819 . . . . 0.0 110.267 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -80.03 -41.74 25.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.356 -0.84 . . . . 0.0 110.358 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -42.56 99.39 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.282 -0.886 . . . . 0.0 110.244 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 74.4 mt -62.75 -27.36 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.337 -0.852 . . . . 0.0 110.078 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.17 32.72 47.36 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.45 161.17 12.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.402 -1.057 . . . . 0.0 110.17 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 60.62 6.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.367 -0.833 . . . . 0.0 110.16 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.1 mt -136.78 134.84 37.48 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.387 -0.821 . . . . 0.0 110.217 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.5 p -93.53 178.79 5.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.858 . . . . 0.0 110.194 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -33.22 74.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.88 95.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.336 -0.852 . . . . 0.0 110.166 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -65.91 -48.2 72.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.373 -0.829 . . . . 0.0 110.197 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.72 -29.67 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.375 -0.828 . . . . 0.0 110.046 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -48.94 56.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.315 -0.866 . . . . 0.0 110.053 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.51 -30.12 70.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.44 -0.788 . . . . 0.0 110.104 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.409 ' HE2' ' CE2' ' A' ' 140' ' ' PHE . 3.6 ttp -74.43 -32.17 62.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.344 -0.847 . . . . 0.0 110.029 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.5 mt -69.88 -40.89 75.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.452 -0.78 . . . . 0.0 110.195 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -61.91 -31.13 71.4 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.396 -0.815 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -80.0 -43.63 21.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.276 -0.89 . . . . 0.0 110.377 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 61.5 t -81.92 -56.19 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.385 -0.822 . . . . 0.0 110.25 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t -59.43 108.79 0.76 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.316 -0.865 . . . . 0.0 110.405 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -105.64 -39.69 6.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.325 -0.86 . . . . 0.0 110.103 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 132' ' ' SER . . . -84.54 -8.55 82.95 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 131' ' ' GLY . 1.1 t 70.21 -4.18 1.62 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.394 -1.062 . . . . 0.0 111.256 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.83 -77.15 1.26 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -109.69 146.76 34.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.463 -1.021 . . . . 0.0 110.149 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.45 HG22 HD13 ' A' ' 135' ' ' ILE . 83.9 mt -113.56 153.27 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.313 -0.867 . . . . 0.0 110.192 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -93.61 117.65 30.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.311 -0.868 . . . . 0.0 110.235 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 25.2 pt -60.4 -20.2 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.383 -0.823 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.23 -52.8 64.07 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.308 -0.87 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -68.86 -40.47 79.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.346 -0.846 . . . . 0.0 110.178 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.429 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -66.55 -45.7 78.5 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.299 -0.875 . . . . 0.0 110.21 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.43 72.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.852 . . . . 0.0 110.161 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.16 62.44 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.261 -0.899 . . . . 0.0 110.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 mt -68.74 -32.3 71.98 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.32 -0.863 . . . . 0.0 110.095 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.8 mt -78.38 -28.18 46.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.857 . . . . 0.0 110.292 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.8 t -120.12 -66.5 1.06 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.366 -0.834 . . . . 0.0 110.289 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.213 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.22 0.533 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.55 -154.28 0.49 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.323 -0.861 . . . . 0.0 110.105 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -57.67 162.07 3.29 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.255 -0.903 . . . . 0.0 110.344 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.2 mt -71.45 151.39 44.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 0.0 110.325 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 p -112.88 177.61 4.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.5 -0.75 . . . . 0.0 109.858 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.85 -32.63 72.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.31 -0.869 . . . . 0.0 110.179 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -70.35 -45.72 65.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.853 . . . . 0.0 109.969 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -68.74 -40.43 79.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.387 -0.82 . . . . 0.0 109.982 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.0 mt -67.35 -30.12 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -0.846 . . . . 0.0 109.862 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.28 69.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.401 -0.812 . . . . 0.0 109.903 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -66.06 -49.18 68.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.426 -0.796 . . . . 0.0 110.037 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -60.39 -38.04 82.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.314 -0.866 . . . . 0.0 110.019 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 10.0 ttmt -60.85 -39.64 89.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.385 -0.822 . . . . 0.0 110.062 179.752 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -62.35 -50.22 72.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.43 -0.793 . . . . 0.0 109.998 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.84 -34.08 71.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.419 -0.801 . . . . 0.0 110.043 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CE1' HG23 ' A' ' 27' ' ' ILE . 18.9 t80 -68.86 -39.55 79.8 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.381 -0.825 . . . . 0.0 110.068 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.69 65.67 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.377 -0.827 . . . . 0.0 110.136 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.19 -31.91 71.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.34 -0.85 . . . . 0.0 110.181 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.421 ' CZ ' HG21 ' A' ' 34' ' ' THR . 88.7 m-85 -111.35 30.57 6.81 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -110.98 172.73 6.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.389 -0.819 . . . . 0.0 110.087 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -73.0 -69.62 0.41 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.335 -0.853 . . . . 0.0 110.249 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -166.63 -68.61 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.377 -0.827 . . . . 0.0 110.226 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -116.44 -11.66 11.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.405 -0.809 . . . . 0.0 110.571 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -58.79 -62.98 1.47 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.166 -0.959 . . . . 0.0 110.243 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.69 49.56 1.95 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 p -153.57 140.37 19.07 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.367 -1.078 . . . . 0.0 110.214 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.426 HG23 ' CE1' ' A' ' 16' ' ' PHE . 45.3 pt -122.75 153.56 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.336 -0.852 . . . . 0.0 110.176 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 m -83.46 160.15 21.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.366 -0.834 . . . . 0.0 110.304 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -36.68 71.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.377 -0.827 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.4 p -58.39 -31.77 67.98 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.375 -0.828 . . . . 0.0 110.262 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -89.49 -17.59 28.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.424 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.53 -52.64 64.02 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.277 -0.889 . . . . 0.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.82 72.53 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.332 -0.855 . . . . 0.0 110.162 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.421 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 34.5 m -69.66 -38.95 77.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.345 -0.847 . . . . 0.0 110.011 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.6 t -61.36 -38.54 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.382 -0.824 . . . . 0.0 109.843 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 61.0 mtt -70.3 -34.03 72.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.379 -0.826 . . . . 0.0 109.981 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -64.86 -33.2 75.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.418 -0.801 . . . . 0.0 110.013 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.52 -34.75 40.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.391 -0.818 . . . . 0.0 110.232 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.8 mt -64.7 -24.83 67.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.391 -0.818 . . . . 0.0 110.152 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.54 37.09 0.7 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -125.7 176.05 7.18 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -1.077 . . . . 0.0 110.187 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -167.28 64.83 0.75 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.364 -0.835 . . . . 0.0 110.161 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -74.53 137.43 22.86 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.767 1.404 . . . . 0.0 110.453 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -63.22 178.99 0.45 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.426 -0.796 . . . . 0.0 110.052 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.46 -31.48 72.21 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.258 -0.901 . . . . 0.0 110.059 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.49 91.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.41 -0.806 . . . . 0.0 110.112 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.73 -42.66 90.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.346 -0.846 . . . . 0.0 109.955 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.54 -37.71 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.437 -0.789 . . . . 0.0 109.881 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -64.26 -38.23 90.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.497 -0.752 . . . . 0.0 109.981 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -62.06 -48.26 81.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 0.0 110.045 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -61.55 -45.08 95.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.371 -0.83 . . . . 0.0 110.072 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.2 mtt -66.54 -28.1 68.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.353 -0.842 . . . . 0.0 109.958 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -66.46 -39.63 88.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.413 -0.804 . . . . 0.0 109.977 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -74.55 -29.58 61.42 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 110.013 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.419 HG21 ' CD2' ' A' ' 61' ' ' HIS . 11.3 mt -87.32 -60.87 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.417 -0.802 . . . . 0.0 109.98 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -61.97 91.17 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.351 -0.843 . . . . 0.0 110.343 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.57 -65.69 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.505 -0.747 . . . . 0.0 109.968 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -91.33 -149.11 0.23 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.425 -0.797 . . . . 0.0 109.937 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.8 13.9 63.13 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -173.76 117.86 0.26 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.072 -1.252 . . . . 0.0 110.184 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.419 ' CD2' HG21 ' A' ' 55' ' ' ILE . 3.7 t-160 -149.54 92.93 1.99 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.308 -0.87 . . . . 0.0 110.182 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -80.5 140.66 35.77 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.376 -0.828 . . . . 0.0 110.044 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.0 mt -84.36 118.14 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.376 -0.828 . . . . 0.0 110.294 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -85.99 160.12 19.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.42 -0.8 . . . . 0.0 110.0 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 14.6 t80 -56.53 -26.43 54.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.331 -0.856 . . . . 0.0 110.404 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.5 p -72.93 -50.81 21.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.351 -0.843 . . . . 0.0 110.073 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.78 -29.24 69.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.824 . . . . 0.0 110.191 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -71.19 -48.75 49.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.401 -0.812 . . . . 0.0 110.171 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 65' ' ' PHE . 40.6 mt -60.2 -32.74 71.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.367 -0.833 . . . . 0.0 110.067 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.64 -48.18 49.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -0.831 . . . . 0.0 110.101 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.32 -39.4 86.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.311 -0.868 . . . . 0.0 110.031 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.0 mmm -67.3 -33.15 74.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.33 -0.856 . . . . 0.0 109.925 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 t -64.07 -41.79 97.21 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.109 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -66.61 -38.44 86.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.368 -0.832 . . . . 0.0 109.995 -179.889 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 5.0 mm100 -80.95 -37.92 28.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.462 -0.774 . . . . 0.0 110.37 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.9 mt -68.3 -35.37 77.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.336 -0.852 . . . . 0.0 110.246 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.82 174.38 6.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.336 -0.853 . . . . 0.0 110.316 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.8 m -160.58 28.52 0.16 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.418 -0.801 . . . . 0.0 110.145 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -153.41 -167.85 2.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.423 -0.798 . . . . 0.0 110.086 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.62 -167.17 2.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.855 . . . . 0.0 110.263 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.6 p -74.24 -9.83 58.99 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.475 -0.766 . . . . 0.0 110.503 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -51.98 -53.15 44.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.185 -0.947 . . . . 0.0 110.568 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -52.91 -43.65 66.36 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.319 -0.863 . . . . 0.0 110.392 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -64.51 -44.37 91.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.308 -0.87 . . . . 0.0 109.93 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -40.41 97.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 0.0 110.046 179.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.1 mt -63.12 -31.85 73.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.01 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.19 -50.16 61.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.07 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.73 92.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.329 -0.857 . . . . 0.0 110.134 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -62.38 -32.9 73.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.396 -0.815 . . . . 0.0 110.116 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -64.06 -43.5 95.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.376 -0.827 . . . . 0.0 110.097 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.41 -45.65 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 110.082 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.419 ' CE2' HG23 ' A' ' 108' ' ' VAL . 11.2 m-85 -64.92 -28.95 69.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 110.123 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 95' ' ' ASN . 5.7 t0 -61.84 -28.16 69.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.39 -0.819 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 -68.69 0.11 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.718 . . . . 0.0 110.649 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' ASP . 5.5 m120 -72.25 -76.08 0.12 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.237 -0.914 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.31 45.92 0.05 OUTLIER Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -119.98 7.12 10.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.376 -1.073 . . . . 0.0 110.53 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.68 53.35 46.03 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.1 mt -146.8 112.36 5.61 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.356 -1.085 . . . . 0.0 110.345 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.5 pt -132.28 160.2 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 t -79.93 160.19 26.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.289 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.99 -35.31 69.04 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.336 -0.853 . . . . 0.0 110.227 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.71 -50.02 72.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.095 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -64.17 -35.52 81.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.369 -0.832 . . . . 0.0 109.936 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.423 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -66.21 -39.49 89.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.408 -0.808 . . . . 0.0 110.001 179.783 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -46.95 77.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.362 -0.836 . . . . 0.0 110.185 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -59.97 -33.12 71.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.419 HG23 ' CE2' ' A' ' 92' ' ' PHE . 59.0 t -75.74 -38.35 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.429 -0.795 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.88 -26.69 65.25 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.293 -0.879 . . . . 0.0 110.168 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.6 m -79.11 -30.46 43.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.32 -0.862 . . . . 0.0 110.216 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 m -76.48 -37.35 56.99 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.292 -0.88 . . . . 0.0 110.228 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.8 mt -62.04 -26.92 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.134 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.13 37.13 19.41 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.92 -7.22 52.92 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.313 -1.11 . . . . 0.0 110.483 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.65 43.28 30.43 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.174 -0.954 . . . . 0.0 110.367 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.4 mt -96.79 115.64 27.78 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.113 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.8 p -62.19 165.18 6.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.37 -0.831 . . . . 0.0 110.124 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.3 -33.66 75.09 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.287 -0.883 . . . . 0.0 110.249 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.13 81.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.2 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.28 -51.33 58.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.412 -0.805 . . . . 0.0 110.142 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.57 -29.55 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.39 -0.819 . . . . 0.0 110.122 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.22 -41.05 86.39 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.171 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.28 -28.03 62.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.329 -0.857 . . . . 0.0 110.188 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.447 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 4.8 mtp -79.75 -31.23 40.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.384 -0.822 . . . . 0.0 110.173 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.0 mt -72.55 -42.27 64.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.283 -0.886 . . . . 0.0 110.149 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -66.15 -34.27 77.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.371 -0.831 . . . . 0.0 110.165 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -80.03 -29.25 39.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.402 -0.811 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 63.8 t -94.53 -61.81 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.407 -0.808 . . . . 0.0 110.122 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.4 t -61.4 139.31 58.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.32 -0.862 . . . . 0.0 110.208 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -129.32 -45.05 1.23 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.303 -0.873 . . . . 0.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.54 78.46 0.02 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.2 t -147.26 -53.76 0.22 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.334 -1.098 . . . . 0.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 164.47 -77.04 0.15 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -108.8 156.07 20.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.34 -1.094 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 83.5 mt -96.83 159.95 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.373 -0.829 . . . . 0.0 110.184 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -89.06 133.39 34.38 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.355 -0.841 . . . . 0.0 110.254 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.6 pt -76.72 -17.89 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.355 -0.84 . . . . 0.0 110.481 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -57.11 14.03 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.243 -0.911 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -63.21 -41.19 99.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.306 -0.871 . . . . 0.0 110.202 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.447 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -67.88 -39.69 83.66 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.35 -0.844 . . . . 0.0 110.096 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.86 -31.53 72.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.351 -0.843 . . . . 0.0 110.212 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.64 -34.58 40.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.52 -32.78 74.57 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.397 -0.814 . . . . 0.0 110.198 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.04 -48.35 13.43 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.369 -0.832 . . . . 0.0 110.235 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.8 m -72.85 -64.27 1.0 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.388 -0.82 . . . . 0.0 110.191 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.224 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.163 0.506 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -73.17 -35.73 66.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.364 -0.835 . . . . 0.0 110.144 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -98.86 132.24 44.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.32 -0.863 . . . . 0.0 110.223 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.97 151.03 19.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.337 -0.852 . . . . 0.0 110.352 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -82.96 170.66 14.68 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.431 -0.793 . . . . 0.0 110.09 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.91 -40.95 95.07 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.288 -0.883 . . . . 0.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.83 -45.26 93.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.294 -0.879 . . . . 0.0 110.083 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.4 mm100 -67.9 -45.03 75.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 110.088 179.868 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.09 -29.11 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.307 -0.871 . . . . 0.0 110.031 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.24 -38.27 78.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.387 -0.821 . . . . 0.0 110.036 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.42 -47.38 70.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.421 -0.8 . . . . 0.0 110.189 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 22.4 m-85 -62.6 -35.33 79.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.349 -0.845 . . . . 0.0 109.99 179.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.63 -42.87 99.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.371 -0.831 . . . . 0.0 110.223 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.75 -46.34 88.51 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.337 -0.852 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.48 -27.82 62.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.287 -0.883 . . . . 0.0 110.294 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -79.29 -35.3 41.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.269 -0.894 . . . . 0.0 110.265 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.64 -28.32 60.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.865 . . . . 0.0 110.149 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.78 -36.61 84.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.387 -0.821 . . . . 0.0 110.174 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.424 ' CE2' HG22 ' A' ' 34' ' ' THR . 74.6 m-85 -99.96 23.71 9.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.389 -0.819 . . . . 0.0 110.183 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -133.98 161.09 35.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.32 -0.862 . . . . 0.0 110.138 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.89 8.92 26.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.455 -0.778 . . . . 0.0 110.598 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.11 25.42 3.23 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.287 -0.883 . . . . 0.0 110.589 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -118.44 -47.86 2.53 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.368 -0.832 . . . . 0.0 110.018 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -94.18 -27.71 16.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.298 -0.876 . . . . 0.0 110.09 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.24 46.22 7.09 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -160.0 153.63 22.59 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.318 -1.107 . . . . 0.0 110.305 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.421 HG21 HD12 ' A' ' 27' ' ' ILE . 38.8 pt -125.21 160.16 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.418 -0.801 . . . . 0.0 110.134 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -79.98 159.98 26.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.305 -0.872 . . . . 0.0 110.316 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -63.76 -40.09 95.86 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.43 -0.794 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 t -56.53 -26.89 56.13 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.437 -0.789 . . . . 0.0 110.401 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -90.78 -18.84 24.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.298 -0.876 . . . . 0.0 110.324 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.82 -52.39 64.16 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.28 -0.887 . . . . 0.0 110.373 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.03 82.89 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.345 -0.847 . . . . 0.0 110.153 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.424 HG22 ' CE2' ' A' ' 19' ' ' PHE . 59.3 m -68.09 -40.09 82.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 110.036 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.12 -34.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.301 -0.874 . . . . 0.0 109.918 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.9 mtt -70.24 -39.23 75.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.455 -0.778 . . . . 0.0 109.903 179.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -63.72 -35.41 80.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.403 -0.811 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -34.86 52.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.386 -0.821 . . . . 0.0 110.057 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.71 -23.99 66.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.17 32.9 1.19 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.8 mt -122.21 178.28 5.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -1.117 . . . . 0.0 110.23 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -169.77 67.76 0.59 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.377 -0.827 . . . . 0.0 110.098 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.48 140.49 30.1 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.781 1.411 . . . . 0.0 110.572 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.06 168.99 2.92 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.357 -0.839 . . . . 0.0 110.047 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -59.96 -26.75 66.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.322 -0.861 . . . . 0.0 110.171 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.53 -42.64 70.95 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.418 -0.801 . . . . 0.0 110.086 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -65.56 -40.31 92.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.846 . . . . 0.0 109.989 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.5 t -63.11 -40.25 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.384 -0.822 . . . . 0.0 109.901 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -61.16 -42.88 99.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.414 -0.804 . . . . 0.0 110.021 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.35 -48.85 79.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.417 -0.802 . . . . 0.0 110.076 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.08 -44.42 95.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.383 -0.823 . . . . 0.0 109.988 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.5 mtt -68.0 -29.72 68.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.395 -0.816 . . . . 0.0 109.857 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.31 -37.2 86.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.416 -0.803 . . . . 0.0 109.819 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -77.49 -38.25 49.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.415 -0.803 . . . . 0.0 109.857 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.415 HG22 ' CD2' ' A' ' 61' ' ' HIS . 47.6 mt -81.75 -65.68 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.412 -0.805 . . . . 0.0 109.876 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -65.08 90.78 0.09 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.431 -0.793 . . . . 0.0 110.222 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.59 -60.11 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.34 -0.85 . . . . 0.0 110.095 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -101.77 -40.88 6.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.412 -0.805 . . . . 0.0 110.262 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.37 -32.07 0.18 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -116.91 107.62 14.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.289 -1.124 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.415 ' CD2' HG22 ' A' ' 55' ' ' ILE . 5.4 t60 -143.74 122.69 12.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.317 -0.864 . . . . 0.0 110.152 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -90.65 124.56 35.17 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.363 -0.836 . . . . 0.0 110.223 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.9 mt -82.32 130.75 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.352 -0.843 . . . . 0.0 110.166 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -91.03 159.96 15.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 0.0 110.132 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.0 t80 -58.91 -27.73 65.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.346 -0.846 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 t -69.76 -55.39 10.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.37 -0.831 . . . . 0.0 110.09 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.12 -32.51 73.91 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.321 -0.862 . . . . 0.0 110.082 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -66.32 -49.42 67.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.41 -0.806 . . . . 0.0 110.121 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 65' ' ' PHE . 37.1 mt -59.91 -32.66 70.97 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.368 -0.833 . . . . 0.0 110.173 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.0 -49.79 41.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.445 -0.785 . . . . 0.0 110.092 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.46 -35.73 80.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.381 -0.825 . . . . 0.0 109.985 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.3 mmm -66.8 -44.42 81.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.359 -0.838 . . . . 0.0 110.058 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 t -61.48 -42.56 98.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.409 -0.807 . . . . 0.0 110.034 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -62.52 -28.65 70.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 110.153 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -92.4 -29.69 16.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.452 -0.78 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mt -87.16 -27.44 23.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.852 . . . . 0.0 110.364 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.23 110.58 21.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 110.138 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.5 t -114.68 -28.91 6.96 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.435 -0.791 . . . . 0.0 110.201 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -138.01 139.35 39.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.369 -0.832 . . . . 0.0 110.217 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.05 -166.47 2.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.384 -0.823 . . . . 0.0 110.187 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.4 m -72.72 -44.78 61.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.325 -0.86 . . . . 0.0 110.193 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.49 -36.63 71.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.367 -0.833 . . . . 0.0 110.401 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -64.08 -42.76 96.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.153 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -59.95 -41.59 92.21 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.279 -0.888 . . . . 0.0 110.176 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.15 -49.46 77.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 109.868 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mt -67.21 -27.28 67.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.424 -0.797 . . . . 0.0 109.757 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -70.25 -38.52 75.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.438 -0.789 . . . . 0.0 109.954 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.01 -44.66 53.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.389 -0.819 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CD1' HG23 ' A' ' 137' ' ' ILE . 16.3 m-85 -62.9 -37.92 88.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.322 -0.861 . . . . 0.0 110.058 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -65.72 -43.56 88.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 110.109 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.3 t -64.65 -27.48 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.415 -0.803 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -78.84 -36.06 43.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.374 -0.829 . . . . 0.0 110.217 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.03 145.51 27.66 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.293 -0.879 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 96' ' ' GLY . 0.2 OUTLIER -72.12 144.19 48.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.362 -0.837 . . . . 0.0 110.218 179.896 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 65.28 -69.5 0.1 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.545 -0.722 . . . . 0.0 110.611 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 145.1 45.94 0.04 OUTLIER Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -45.03 14.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.307 -1.114 . . . . 0.0 110.211 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.23 32.37 4.33 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.2 mt -126.17 102.31 7.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -1.042 . . . . 0.0 110.236 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.9 pt -124.88 160.26 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.358 -0.839 . . . . 0.0 110.209 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.8 m -79.82 160.24 26.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.308 -0.87 . . . . 0.0 110.145 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.4 -30.77 41.77 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.317 -0.864 . . . . 0.0 110.478 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.15 -53.13 54.36 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.376 -0.827 . . . . 0.0 110.039 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.52 -40.47 91.59 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.342 -0.849 . . . . 0.0 110.031 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.439 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -62.56 -39.83 94.9 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.354 -0.841 . . . . 0.0 110.129 179.913 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -65.03 -47.05 78.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.411 -0.805 . . . . 0.0 110.124 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -61.85 -28.45 69.5 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.415 -0.803 . . . . 0.0 110.157 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.0 t -77.46 -44.01 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.399 -0.813 . . . . 0.0 110.158 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -32.7 70.52 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.349 -0.844 . . . . 0.0 110.272 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.8 m -79.93 -32.63 40.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.381 -0.825 . . . . 0.0 110.217 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -72.38 -38.37 68.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 0.0 110.264 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 57.0 mt -63.54 -27.23 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.319 -0.863 . . . . 0.0 110.122 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.12 40.25 11.76 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 3.2 mm-40 -85.31 4.07 36.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.398 -1.06 . . . . 0.0 110.571 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.585 ' O ' ' C ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER 67.69 -64.48 0.27 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.446 -0.784 . . . . 0.0 110.343 -179.643 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.585 ' C ' ' O ' ' A' ' 115' ' ' LYS . 15.3 mt 11.77 98.14 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 121.218 0.532 . . . . 0.0 112.334 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.4 p -56.72 165.64 1.14 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.335 -0.853 . . . . 0.0 110.27 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -60.24 -30.37 69.37 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.305 -0.872 . . . . 0.0 110.202 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.18 -32.54 73.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.349 -0.845 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.9 -52.0 48.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.379 -0.826 . . . . 0.0 110.115 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.55 -27.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.93 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -69.72 -47.79 61.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.378 -0.826 . . . . 0.0 109.954 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.81 -37.21 81.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.327 -0.858 . . . . 0.0 109.971 179.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.456 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 1.6 mtp -71.4 -36.72 71.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.418 -0.801 . . . . 0.0 109.93 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.54 -43.27 99.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.444 -0.785 . . . . 0.0 110.021 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -55.13 -48.94 72.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.362 -0.836 . . . . 0.0 109.763 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -69.87 -21.9 63.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.775 . . . . 0.0 109.677 179.15 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 128' ' ' VAL . 82.9 t -112.2 50.77 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.237 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.0 p -146.84 28.05 1.05 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.932 -1.105 . . . . 0.0 110.331 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.74 58.01 1.62 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.37 -0.832 . . . . 0.0 110.182 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -135.62 -88.93 0.27 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.5 t -166.25 -68.1 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.296 -1.12 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.81 30.51 1.24 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -155.06 160.11 40.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.343 -1.092 . . . . 0.0 110.137 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.429 HD13 HG23 ' A' ' 135' ' ' ILE . 83.8 mt -133.35 159.64 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.374 -0.829 . . . . 0.0 110.153 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -104.53 141.19 36.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.395 -0.816 . . . . 0.0 110.257 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.424 HG23 ' CD1' ' A' ' 89' ' ' PHE . 13.0 pt -80.04 -20.24 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.404 -0.81 . . . . 0.0 110.613 -179.841 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.49 -66.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.111 -0.993 . . . . 0.0 110.428 -179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -55.38 -44.01 75.68 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.222 -0.923 . . . . 0.0 110.528 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.456 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 1.4 t80 -61.09 -51.29 69.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -0.865 . . . . 0.0 110.08 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.27 -28.79 67.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.384 -0.822 . . . . 0.0 110.132 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.52 -38.4 55.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.451 -0.781 . . . . 0.0 109.996 179.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.14 -37.06 81.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 110.086 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.28 -24.3 60.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.433 -0.792 . . . . 0.0 110.333 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 20.9 m -80.83 -74.89 0.3 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 110.233 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.234 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.2 p . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.222 0.534 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -130.93 -55.17 1.05 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.174 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -90.19 137.87 31.99 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.451 -0.781 . . . . 0.0 110.204 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mt -58.66 161.44 4.69 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.358 -0.838 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -103.98 168.5 9.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.382 -0.824 . . . . 0.0 110.201 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.0 -42.85 81.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.385 -0.822 . . . . 0.0 110.287 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.0 -48.65 79.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.395 -0.816 . . . . 0.0 109.696 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.435 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.3 mt-30 -65.22 -46.78 79.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.452 -0.78 . . . . 0.0 109.809 179.565 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.5 mt -62.12 -28.42 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 109.919 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.65 77.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.293 -0.879 . . . . 0.0 109.748 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.5 -49.67 65.79 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.403 -0.811 . . . . 0.0 110.292 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.551 ' CE1' ' HE2' ' A' ' 72' ' ' MET . 15.1 m-85 -60.55 -31.3 70.41 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.232 -0.918 . . . . 0.0 109.671 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 3.7 ttmm -65.55 -43.16 90.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.459 -0.776 . . . . 0.0 110.08 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.23 -44.15 97.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.442 -0.786 . . . . 0.0 110.17 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.58 -28.3 61.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.355 -0.84 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CE1' HG22 ' A' ' 27' ' ' ILE . 28.5 t80 -77.23 -41.82 39.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.216 -0.927 . . . . 0.0 110.152 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.56 -27.71 64.34 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.374 -0.829 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.7 mt -65.3 -31.5 72.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CE2' HG22 ' A' ' 34' ' ' THR . 54.3 m-85 -103.48 25.04 10.14 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.278 -0.889 . . . . 0.0 110.407 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -112.45 -88.96 0.53 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.268 -0.895 . . . . 0.0 110.046 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp 50.02 77.99 0.11 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.135 -0.978 . . . . 0.0 110.657 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -162.55 -68.04 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.355 -0.84 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -168.35 -64.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 0.0 110.24 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -103.62 156.12 18.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.327 -0.858 . . . . 0.0 110.218 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 92.21 0.12 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p -158.75 144.51 16.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -1.127 . . . . 0.0 110.264 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.42 HG22 ' CE1' ' A' ' 16' ' ' PHE . 42.8 pt -130.18 158.99 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.32 -0.863 . . . . 0.0 110.203 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 m -84.59 159.93 20.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.391 -0.818 . . . . 0.0 110.136 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -34.99 76.1 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.432 -0.793 . . . . 0.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -27.01 62.14 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.389 -0.819 . . . . 0.0 110.43 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -93.87 -19.32 21.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.8 tp -52.66 -56.22 17.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.274 -0.891 . . . . 0.0 110.496 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.38 79.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.314 -0.866 . . . . 0.0 110.185 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.419 HG22 ' CE2' ' A' ' 19' ' ' PHE . 36.1 m -69.31 -40.03 77.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.298 -0.876 . . . . 0.0 110.143 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.61 -32.49 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.385 -0.822 . . . . 0.0 109.831 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.8 mtt -74.12 -35.75 64.15 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.406 -0.809 . . . . 0.0 109.788 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -34.23 77.92 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.475 -0.765 . . . . 0.0 110.1 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -78.45 -34.96 47.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.425 -0.797 . . . . 0.0 110.178 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.21 -24.97 65.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 110.254 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.14 36.67 0.85 Allowed Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.1 mt -121.64 172.76 7.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.309 -1.113 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -166.25 67.6 1.05 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.366 -0.834 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.45 138.5 24.57 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.767 1.404 . . . . 0.0 110.447 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -61.12 169.88 1.87 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.294 -0.879 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.48 -28.95 67.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.279 -0.888 . . . . 0.0 110.102 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.57 68.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.839 . . . . 0.0 109.923 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.79 -40.29 96.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.316 -0.865 . . . . 0.0 109.898 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.82 -47.59 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.381 -0.824 . . . . 0.0 109.857 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -44.98 69.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.32 -0.863 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -57.16 -47.45 81.18 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.299 -0.876 . . . . 0.0 109.936 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.63 -51.88 56.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.483 -0.761 . . . . 0.0 109.821 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.7 -24.37 67.75 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.398 -0.814 . . . . 0.0 110.114 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -69.66 -39.51 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.881 . . . . 0.0 109.596 179.512 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -77.21 -33.52 56.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.364 -0.835 . . . . 0.0 109.776 179.6 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.426 HG22 ' CD2' ' A' ' 61' ' ' HIS . 31.1 mt -87.73 -65.15 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.438 -0.789 . . . . 0.0 109.694 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.41 96.74 0.17 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.439 -0.788 . . . . 0.0 110.124 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -82.06 -38.16 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.303 -0.873 . . . . 0.0 110.199 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.78 51.42 1.82 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.326 -0.859 . . . . 0.0 110.276 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.39 25.59 67.01 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -169.03 119.03 0.71 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.281 -1.129 . . . . 0.0 110.14 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.426 ' CD2' HG22 ' A' ' 55' ' ' ILE . 6.9 t60 -168.94 125.52 0.95 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.272 -0.892 . . . . 0.0 110.254 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -89.58 118.0 28.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.381 -0.824 . . . . 0.0 110.043 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.8 mt -79.94 136.94 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.397 -0.814 . . . . 0.0 110.238 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.87 160.27 14.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.417 -0.802 . . . . 0.0 110.034 179.824 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.434 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 7.7 t80 -56.67 -45.17 81.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 110.544 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.5 p -57.49 -44.86 85.29 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.292 -0.88 . . . . 0.0 110.106 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.61 -39.53 88.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.377 -0.827 . . . . 0.0 109.585 179.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.5 ' O ' ' HB3' ' A' ' 72' ' ' MET . 49.6 t80 -62.26 -58.31 8.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.593 -0.692 . . . . 0.0 110.081 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.495 ' HA ' ' CG ' ' A' ' 72' ' ' MET . 82.9 mt -53.11 -30.75 38.28 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.19 -0.944 . . . . 0.0 110.297 -179.622 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.14 -48.71 12.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.296 -0.877 . . . . 0.0 110.07 179.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.82 -30.6 62.8 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.373 -0.83 . . . . 0.0 109.635 179.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.551 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -77.14 -36.2 55.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.594 -0.691 . . . . 0.0 109.693 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 72' ' ' MET . 19.7 t -70.28 -35.39 73.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.604 -0.685 . . . . 0.0 110.021 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 0.4 OUTLIER -63.5 -38.85 92.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.412 -0.805 . . . . 0.0 109.846 179.865 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 2.6 mm-40 -67.24 -41.47 85.6 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.499 -0.751 . . . . 0.0 110.121 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.86 -27.96 67.95 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.234 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.72 143.33 56.37 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.345 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -167.95 131.08 1.59 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.415 -0.803 . . . . 0.0 110.079 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -159.0 91.94 1.07 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.325 -0.859 . . . . 0.0 110.198 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -169.01 165.47 11.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.265 -0.897 . . . . 0.0 110.242 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -61.42 2.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.399 -0.813 . . . . 0.0 110.154 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.8 -34.48 67.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.371 -0.83 . . . . 0.0 110.259 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -66.99 -36.91 83.23 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.346 -0.846 . . . . 0.0 110.001 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.14 -47.15 83.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.417 -0.802 . . . . 0.0 110.076 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.2 -41.25 98.19 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.373 -0.829 . . . . 0.0 110.074 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.88 -35.06 78.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.39 -0.819 . . . . 0.0 110.126 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -48.68 72.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.339 -0.851 . . . . 0.0 110.06 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.37 -47.38 85.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.356 -0.84 . . . . 0.0 110.24 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.413 ' CD1' HG21 ' A' ' 137' ' ' ILE . 13.7 m-85 -61.8 -26.79 68.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.339 -0.851 . . . . 0.0 110.186 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -76.81 -41.04 45.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.332 -0.855 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.96 -41.53 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.379 -0.825 . . . . 0.0 110.141 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 108' ' ' VAL . 11.0 m-85 -65.4 -26.47 68.0 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.419 -0.801 . . . . 0.0 110.208 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.99 166.15 21.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.334 -0.853 . . . . 0.0 110.169 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -133.27 30.44 3.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.377 -0.827 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -135.27 -51.17 0.76 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.44 -0.788 . . . . 0.0 110.246 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.04 -30.69 3.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -64.88 -48.13 75.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -1.088 . . . . 0.0 110.241 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.68 66.25 0.34 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mt -134.17 104.11 6.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.401 -1.058 . . . . 0.0 110.232 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 pt -115.53 160.4 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.853 . . . . 0.0 110.222 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.5 m -79.59 160.2 26.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.848 . . . . 0.0 110.257 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.89 -37.52 63.82 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.334 -0.854 . . . . 0.0 110.467 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.19 58.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.832 . . . . 0.0 110.126 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -60.47 -27.72 67.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.325 -0.859 . . . . 0.0 110.145 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.41 HD22 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -68.48 -45.47 72.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.393 -0.817 . . . . 0.0 110.089 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -66.2 -32.4 73.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.386 -0.821 . . . . 0.0 110.079 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -70.77 -31.39 68.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.41 -0.806 . . . . 0.0 110.143 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.417 HG21 ' CE2' ' A' ' 92' ' ' PHE . 69.4 t -77.65 -45.26 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.375 -0.828 . . . . 0.0 110.028 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.2 mt -61.79 -32.21 72.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.318 -0.864 . . . . 0.0 110.151 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.9 m -80.1 -31.67 39.2 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.359 -0.838 . . . . 0.0 110.217 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 t -71.07 -38.95 72.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.299 -0.876 . . . . 0.0 110.12 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.43 -27.9 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.384 -0.822 . . . . 0.0 110.147 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.69 29.07 24.91 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.27 165.51 23.52 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.299 -1.118 . . . . 0.0 110.058 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -102.71 49.73 0.83 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.304 -0.872 . . . . 0.0 110.226 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 16.9 mt -95.62 103.39 15.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.888 . . . . 0.0 110.158 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -59.53 166.89 2.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.429 -0.795 . . . . 0.0 110.255 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -30.97 71.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.386 -0.821 . . . . 0.0 110.246 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.76 88.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.379 -0.825 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -67.19 -52.17 44.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.426 -0.796 . . . . 0.0 110.147 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.82 -28.85 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.438 -0.789 . . . . 0.0 110.043 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.54 -42.82 64.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.376 -0.828 . . . . 0.0 110.183 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.9 -28.71 62.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.312 -0.868 . . . . 0.0 110.191 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.6 mtp -78.25 -42.09 32.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.345 -0.847 . . . . 0.0 110.205 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.5 mt -66.5 -33.51 75.86 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.304 -0.873 . . . . 0.0 110.181 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -67.03 -40.8 87.27 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.425 -0.797 . . . . 0.0 110.226 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -79.88 -32.5 40.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.296 -0.877 . . . . 0.0 110.245 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 67.0 t -82.32 -58.17 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.071 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.3 t -63.22 127.36 30.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.139 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.28 44.7 2.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.315 -0.865 . . . . 0.0 110.327 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.07 80.7 0.21 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.5 m -160.01 -42.73 0.05 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -1.059 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.62 25.2 11.02 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -160.2 137.62 9.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.433 -1.039 . . . . 0.0 110.129 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.466 HD13 HG21 ' A' ' 135' ' ' ILE . 83.0 mt -130.1 134.54 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.282 -0.886 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -79.97 129.66 34.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 110.217 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.413 HG21 ' CD1' ' A' ' 89' ' ' PHE . 6.3 pt -69.44 -12.22 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.412 -0.805 . . . . 0.0 110.699 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.43 -66.95 0.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.185 -0.947 . . . . 0.0 110.251 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -55.71 -43.18 76.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.332 -0.855 . . . . 0.0 110.669 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.41 ' CZ ' HD22 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.79 -45.32 94.86 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.285 -0.885 . . . . 0.0 110.09 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.45 72.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.377 -0.827 . . . . 0.0 110.128 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.93 -34.24 57.67 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.033 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.23 -35.2 79.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.371 -0.83 . . . . 0.0 110.107 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.2 mt -79.93 -32.53 40.09 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.322 -0.861 . . . . 0.0 110.187 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.6 t -74.75 134.88 41.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.399 -0.813 . . . . 0.0 110.177 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.275 179.944 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.24 0.543 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 p -150.29 -166.03 2.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.299 -0.875 . . . . 0.0 110.142 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.0 163.14 10.24 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.355 -0.841 . . . . 0.0 110.154 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.82 132.84 55.18 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.292 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p -80.46 175.08 10.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 0.0 110.171 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -60.39 -36.44 78.09 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.321 -0.862 . . . . 0.0 110.195 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.21 -52.38 63.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.3 -0.875 . . . . 0.0 110.052 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -63.29 -43.49 97.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.306 -0.872 . . . . 0.0 110.09 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.1 mt -66.55 -34.34 69.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -0.901 . . . . 0.0 109.873 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.67 84.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.362 -0.836 . . . . 0.0 109.976 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.38 -49.58 59.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.449 -0.782 . . . . 0.0 109.983 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CD1' ' HE2' ' A' ' 72' ' ' MET . 23.8 m-85 -62.16 -35.3 78.37 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.383 -0.823 . . . . 0.0 109.876 179.76 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HE2' ' CZ ' ' A' ' 65' ' ' PHE . 11.7 ttmm -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.433 -0.792 . . . . 0.0 110.181 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.37 -51.27 68.26 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.323 -0.86 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.26 82.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.362 -0.836 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CE1' HG21 ' A' ' 27' ' ' ILE . 5.6 t80 -68.59 -46.95 68.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.315 -0.865 . . . . 0.0 110.232 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -27.54 69.39 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.307 -0.871 . . . . 0.0 110.276 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.77 -35.52 80.87 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.437 -0.789 . . . . 0.0 110.21 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CZ ' HG21 ' A' ' 34' ' ' THR . 89.5 m-85 -107.73 27.94 8.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.339 -0.851 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -97.06 78.91 2.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 110.211 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -63.2 -29.09 70.5 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.367 -0.833 . . . . 0.0 110.134 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.35 -15.59 59.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.398 -0.814 . . . . 0.0 110.415 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 54.1 25.95 6.09 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.186 -0.947 . . . . 0.0 110.404 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -115.72 -31.73 5.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.332 -0.855 . . . . 0.0 110.224 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.49 45.76 0.17 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -159.2 136.07 9.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -1.053 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.424 HG21 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -124.55 159.94 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.415 -0.803 . . . . 0.0 110.16 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.71 160.01 25.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.412 -0.805 . . . . 0.0 110.221 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -28.01 68.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.363 -0.836 . . . . 0.0 110.188 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -36.5 80.81 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.381 -0.824 . . . . 0.0 110.136 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -83.86 -15.7 47.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.848 . . . . 0.0 110.441 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 tp -54.02 -51.04 65.25 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.263 -0.898 . . . . 0.0 110.482 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.4 91.1 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.301 -0.874 . . . . 0.0 110.135 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.43 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 63.5 m -68.24 -38.45 81.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.339 -0.851 . . . . 0.0 110.181 179.821 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.74 -35.08 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.35 -0.844 . . . . 0.0 109.904 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.7 mtt -72.69 -34.42 67.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.285 -0.884 . . . . 0.0 110.008 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -67.5 -34.88 78.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.404 -0.81 . . . . 0.0 110.167 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -80.12 -33.44 38.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.366 -0.833 . . . . 0.0 110.249 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.25 -22.07 66.64 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.368 -0.832 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.78 29.66 1.99 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.7 mt -124.28 178.89 5.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.364 -1.08 . . . . 0.0 110.193 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.4 p -167.38 67.81 0.88 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.389 -0.819 . . . . 0.0 110.174 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.1 139.38 29.58 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.72 1.379 . . . . 0.0 110.377 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.5 167.34 2.64 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.335 -0.853 . . . . 0.0 110.056 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -58.87 -27.58 65.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.293 -0.879 . . . . 0.0 110.23 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.65 80.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.365 -0.834 . . . . 0.0 110.031 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -66.93 -39.89 87.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 0.0 110.089 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.74 -37.01 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.327 -0.858 . . . . 0.0 109.871 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -66.97 -35.98 81.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.338 -0.851 . . . . 0.0 110.153 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.93 -44.27 90.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.385 -0.822 . . . . 0.0 110.077 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.41 -37.15 77.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.34 -0.85 . . . . 0.0 110.089 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.7 mtt -68.87 -31.01 69.65 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.392 -0.818 . . . . 0.0 110.093 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -70.24 -44.54 68.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 110.14 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.67 -27.96 67.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.373 -0.829 . . . . 0.0 110.088 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.463 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 2.7 mt -88.02 -53.41 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.837 . . . . 0.0 110.081 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -51.53 114.07 1.15 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.12 -0.988 . . . . 0.0 110.639 -179.604 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.505 ' CG2' ' HB2' ' A' ' 61' ' ' HIS . 8.4 m -119.07 -33.72 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.398 -0.814 . . . . 0.0 110.509 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.84 14.98 4.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.409 -0.807 . . . . 0.0 110.225 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.45 -6.67 49.86 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -165.7 50.32 0.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.059 -1.259 . . . . 0.0 111.125 -179.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.505 ' HB2' ' CG2' ' A' ' 57' ' ' VAL . 3.2 t-160 -64.28 120.59 12.46 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.107 -0.995 . . . . 0.0 109.367 179.167 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -79.15 121.75 25.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.29 -0.881 . . . . 0.0 109.936 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 63' ' ' ILE . 77.4 mt -79.77 126.01 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.831 . . . . 0.0 110.333 -179.587 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.5 160.17 16.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.483 -0.76 . . . . 0.0 109.946 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CE2' HD13 ' A' ' 69' ' ' LEU . 14.5 t80 -55.12 -25.87 34.64 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.31 -0.868 . . . . 0.0 110.433 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 t -70.92 -57.74 4.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.911 . . . . 0.0 110.043 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.04 -29.75 71.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.462 -0.774 . . . . 0.0 110.137 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.45 -48.63 64.03 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.852 . . . . 0.0 110.073 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.437 HD13 ' CE2' ' A' ' 65' ' ' PHE . 38.7 mt -59.66 -34.32 72.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.242 -0.911 . . . . 0.0 109.952 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.22 -51.2 26.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -0.834 . . . . 0.0 110.087 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 mt -62.45 -29.45 70.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.383 -0.823 . . . . 0.0 110.069 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.426 ' HE2' ' CD1' ' A' ' 12' ' ' PHE . 81.9 mmm -74.67 -36.49 62.81 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.354 -0.842 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.6 t -65.63 -36.75 84.61 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 0.0 110.198 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -68.12 -38.85 82.71 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.378 -0.826 . . . . 0.0 109.869 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 19.2 mm-40 -75.58 -44.51 42.78 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.499 -0.751 . . . . 0.0 110.175 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.18 -27.41 67.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.27 -0.894 . . . . 0.0 110.191 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -103.26 -165.3 1.15 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.365 -0.835 . . . . 0.0 110.165 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.0 p -98.95 127.98 45.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.348 -0.845 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.07 71.76 7.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.334 -0.854 . . . . 0.0 110.21 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.92 -37.48 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.372 -0.83 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.4 p -52.72 -32.33 42.45 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.319 -0.863 . . . . 0.0 110.524 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.55 -58.51 7.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.249 -0.907 . . . . 0.0 110.095 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -60.82 -29.56 69.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.315 -0.866 . . . . 0.0 110.043 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.65 -39.68 80.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.415 -0.803 . . . . 0.0 109.957 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mt -63.59 -47.86 79.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.393 -0.817 . . . . 0.0 110.073 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.62 -29.31 70.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.456 -0.777 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.1 -46.75 64.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.364 -0.835 . . . . 0.0 110.07 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.9 95.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.311 -0.868 . . . . 0.0 110.062 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.436 ' CD1' ' CG2' ' A' ' 137' ' ' ILE . 6.6 m-85 -62.53 -30.9 71.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.368 -0.833 . . . . 0.0 110.085 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -67.18 -43.73 81.43 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.404 -0.81 . . . . 0.0 110.129 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.72 -38.24 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -0.839 . . . . 0.0 109.969 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -76.44 -21.12 56.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.424 -0.798 . . . . 0.0 110.347 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -58.78 171.21 0.68 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.274 -0.891 . . . . 0.0 110.308 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -69.7 0.54 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.382 -0.824 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -111.23 -62.83 1.49 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.302 -0.874 . . . . 0.0 110.188 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.18 40.63 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.82 -55.89 2.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -1.1 . . . . 0.0 110.141 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.1 49.16 0.19 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 81.7 mt -132.45 109.72 10.01 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -1.069 . . . . 0.0 110.175 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 pt -131.4 159.56 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.389 -0.819 . . . . 0.0 110.254 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 m -79.86 160.24 26.13 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.385 -0.822 . . . . 0.0 110.267 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.08 -27.74 34.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.388 -0.82 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.46 -52.75 42.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.374 -0.829 . . . . 0.0 110.045 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -62.8 -38.93 92.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.392 -0.817 . . . . 0.0 110.019 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.421 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -65.77 -36.43 83.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.42 -0.8 . . . . 0.0 110.164 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -68.77 -35.39 77.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.407 -0.808 . . . . 0.0 110.161 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -69.98 -31.9 69.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.358 -0.839 . . . . 0.0 110.173 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 68.6 t -74.38 -38.54 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.288 -0.882 . . . . 0.0 110.085 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.3 -28.77 65.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.391 -0.818 . . . . 0.0 110.145 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.6 m -79.7 -43.23 23.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.351 -0.843 . . . . 0.0 110.17 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.0 m -61.55 -44.01 97.82 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.369 -0.832 . . . . 0.0 110.136 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.1 -27.21 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.303 -0.873 . . . . 0.0 110.071 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.19 31.5 52.0 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.58 175.83 0.43 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.339 -1.095 . . . . 0.0 110.243 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -100.94 60.38 0.94 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.354 -0.841 . . . . 0.0 110.217 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 50.7 mt -127.08 116.48 20.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.282 -0.886 . . . . 0.0 110.251 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.0 p -77.9 -179.21 5.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.407 -0.808 . . . . 0.0 110.123 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.97 -38.46 88.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.351 -0.843 . . . . 0.0 110.151 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.93 87.48 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.41 -0.806 . . . . 0.0 110.091 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -66.59 -51.37 57.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.336 -0.852 . . . . 0.0 110.055 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.26 -27.29 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 109.98 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -69.25 -44.91 70.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.312 -0.868 . . . . 0.0 110.005 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.47 -35.17 68.15 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.414 -0.804 . . . . 0.0 110.109 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.443 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 3.2 ttp -72.77 -28.79 62.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.396 -0.815 . . . . 0.0 110.046 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -73.3 -43.36 61.08 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.366 -0.834 . . . . 0.0 110.203 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -66.82 -33.12 74.92 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 110.244 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.02 -29.74 39.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.364 -0.835 . . . . 0.0 110.426 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 80.7 t -93.72 -52.53 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.335 -0.853 . . . . 0.0 110.293 -179.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.5 t -61.02 112.26 2.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.394 -0.816 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.84 -38.76 2.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.68 -102.16 0.01 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.1 m -142.14 -65.52 0.41 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.332 -1.099 . . . . 0.0 110.236 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -138.59 40.94 1.41 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -144.36 117.3 8.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.414 -1.051 . . . . 0.0 110.107 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 70.8 mt -116.37 147.84 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.297 -0.877 . . . . 0.0 110.171 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -91.11 137.84 32.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 0.0 110.069 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.436 ' CG2' ' CD1' ' A' ' 89' ' ' PHE . 2.0 pt -74.4 -18.46 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.385 -0.822 . . . . 0.0 110.45 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -61.1 -65.0 0.76 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.294 -0.879 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 140' ' ' PHE . 6.3 pt20 -54.89 -42.81 72.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.347 -0.846 . . . . 0.0 110.495 -179.868 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.443 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -61.16 -43.75 98.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.358 -0.839 . . . . 0.0 110.122 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.95 -32.37 72.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.383 -0.823 . . . . 0.0 110.123 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.5 -43.42 76.88 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.432 -0.792 . . . . 0.0 110.086 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.32 -33.98 75.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.297 -0.877 . . . . 0.0 110.096 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 88.4 mt -79.84 -37.93 33.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.416 -0.803 . . . . 0.0 110.105 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.6 m -86.39 -157.78 0.37 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.315 -0.866 . . . . 0.0 110.172 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.174 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.1 t . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.248 0.547 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.82 -10.42 17.39 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.317 -0.864 . . . . 0.0 110.524 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -58.09 107.52 0.49 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.911 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.1 mt -80.11 132.89 36.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.359 -0.838 . . . . 0.0 110.38 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p -88.16 178.95 6.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 109.973 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.83 -36.22 82.5 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.323 -0.861 . . . . 0.0 110.112 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -69.4 -37.97 77.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.285 -0.885 . . . . 0.0 110.016 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -70.61 -44.41 67.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.425 -0.797 . . . . 0.0 110.018 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.4 mt -66.31 -32.16 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.4 -0.812 . . . . 0.0 109.848 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.69 71.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.415 -0.803 . . . . 0.0 109.98 179.7 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -50.14 63.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.409 -0.807 . . . . 0.0 109.967 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.417 ' CE1' ' HE1' ' A' ' 72' ' ' MET . 25.3 m-85 -60.7 -35.15 75.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.33 -0.856 . . . . 0.0 110.05 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -63.52 -39.25 93.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.373 -0.829 . . . . 0.0 109.968 179.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.22 -53.57 50.96 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.413 -0.804 . . . . 0.0 110.065 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.7 88.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.0 109.983 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.39 -42.32 83.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.379 -0.826 . . . . 0.0 109.942 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.51 71.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.419 -0.801 . . . . 0.0 110.153 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.11 -30.66 70.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.841 . . . . 0.0 110.06 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CZ ' HG21 ' A' ' 34' ' ' THR . 92.4 m-85 -109.45 21.6 16.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.389 -0.819 . . . . 0.0 110.285 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -98.03 115.1 27.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.353 -0.842 . . . . 0.0 110.141 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -20.82 9.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.378 -0.826 . . . . 0.0 110.484 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.31 -83.27 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.212 -0.93 . . . . 0.0 110.238 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -173.28 -63.13 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.12 -0.987 . . . . 0.0 110.344 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -74.82 -66.68 0.72 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.305 -0.872 . . . . 0.0 110.377 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 176.33 87.78 0.07 OUTLIER Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 p -143.88 118.64 9.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.369 -1.077 . . . . 0.0 110.185 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 pt -117.06 159.19 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.387 -0.821 . . . . 0.0 110.338 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 m -84.01 160.19 21.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.369 -0.832 . . . . 0.0 110.343 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -59.78 -41.18 90.54 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.35 -0.844 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.46 -27.14 46.39 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.282 -0.886 . . . . 0.0 110.373 -179.741 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -91.01 -16.24 28.27 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.32 -0.863 . . . . 0.0 110.434 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.01 -55.89 28.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.206 -0.934 . . . . 0.0 110.359 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.66 -31.53 69.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.425 -0.797 . . . . 0.0 110.099 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.418 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 60.7 m -72.45 -38.0 68.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.461 -0.775 . . . . 0.0 109.995 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.8 t -62.51 -38.19 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.4 -0.812 . . . . 0.0 109.832 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.0 mtt -71.89 -34.44 69.16 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.4 -0.813 . . . . 0.0 109.869 179.724 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.04 73.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.412 -0.805 . . . . 0.0 110.151 179.874 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.73 -31.43 41.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 110.112 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.07 -26.39 63.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.323 -0.86 . . . . 0.0 110.257 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.06 39.2 0.53 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 mt -123.78 174.44 7.5 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.402 -1.058 . . . . 0.0 110.085 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.9 62.62 0.68 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.303 -0.873 . . . . 0.0 110.178 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.05 137.92 27.29 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 O-C-N 123.705 1.371 . . . . 0.0 110.4 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.61 169.82 1.23 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.364 -0.835 . . . . 0.0 110.073 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -28.28 66.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.325 -0.859 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.39 82.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.367 -0.833 . . . . 0.0 110.042 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.94 -42.51 94.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.324 -0.86 . . . . 0.0 109.932 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.85 -40.69 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.426 -0.797 . . . . 0.0 109.87 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -61.73 -37.16 83.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -62.73 -50.18 72.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.085 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.47 -43.88 97.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.3 -0.875 . . . . 0.0 109.99 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 mtt -67.54 -39.62 85.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.421 -0.799 . . . . 0.0 110.084 179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -63.69 -26.72 68.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 109.984 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.66 -28.19 30.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.248 -0.908 . . . . 0.0 109.791 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.431 HG23 ' CD2' ' A' ' 61' ' ' HIS . 4.4 mt -84.29 -50.98 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 110.128 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 -63.27 144.92 56.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.295 -0.878 . . . . 0.0 110.637 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.0 t -146.23 -49.97 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.351 -0.843 . . . . 0.0 109.906 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -126.71 16.62 7.49 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 110.32 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.34 -29.7 11.83 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -120.76 124.22 44.59 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.35 -1.088 . . . . 0.0 110.404 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.431 ' CD2' HG23 ' A' ' 55' ' ' ILE . 4.5 t60 -170.63 99.9 0.24 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.396 -0.815 . . . . 0.0 110.138 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -80.91 137.68 36.14 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.362 -0.836 . . . . 0.0 110.195 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.462 HD12 HG22 ' A' ' 63' ' ' ILE . 83.3 mt -84.1 120.51 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.402 -0.811 . . . . 0.0 110.137 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -86.99 160.11 18.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.314 -0.866 . . . . 0.0 110.063 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 69' ' ' LEU . 17.0 t80 -56.27 -27.19 54.39 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.287 -0.883 . . . . 0.0 110.327 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.6 p -69.1 -55.78 9.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.302 -0.874 . . . . 0.0 110.027 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.1 -30.42 71.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.378 -0.826 . . . . 0.0 110.006 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -66.45 -48.43 69.96 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.385 -0.822 . . . . 0.0 110.079 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 65' ' ' PHE . 35.8 mt -59.24 -42.76 91.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.396 -0.815 . . . . 0.0 110.153 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.0 96.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.372 -0.83 . . . . 0.0 110.009 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.7 mt -62.1 -41.34 98.11 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.418 -0.801 . . . . 0.0 109.991 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.417 ' HE1' ' CE1' ' A' ' 12' ' ' PHE . 96.3 mmm -63.76 -34.87 78.85 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.43 -0.794 . . . . 0.0 109.889 179.872 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -62.91 -45.28 93.23 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.45 -0.781 . . . . 0.0 109.98 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -60.66 -40.39 91.85 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.458 -0.776 . . . . 0.0 110.033 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -77.73 -40.33 41.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.413 -0.804 . . . . 0.0 110.08 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt -85.95 55.3 3.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.35 -0.843 . . . . 0.0 110.093 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -109.94 -161.79 0.77 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 110.288 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t 53.84 26.34 6.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.323 -0.86 . . . . 0.0 110.431 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.13 -174.74 4.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.327 -0.858 . . . . 0.0 110.119 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -163.46 111.01 1.19 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.877 . . . . 0.0 110.29 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.17 -17.43 60.91 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.396 -0.815 . . . . 0.0 110.391 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.63 -51.82 67.23 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.271 -0.893 . . . . 0.0 110.327 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -53.03 -41.26 64.57 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.353 -0.842 . . . . 0.0 110.475 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.6 -42.21 98.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.121 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.07 -46.9 88.77 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.417 -0.802 . . . . 0.0 110.066 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.74 -28.78 69.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.206 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -67.33 -46.36 73.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.37 -0.831 . . . . 0.0 110.117 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.21 83.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.381 -0.825 . . . . 0.0 110.11 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -60.81 -34.17 74.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.308 -0.87 . . . . 0.0 110.144 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -68.39 -40.1 81.49 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.304 -0.872 . . . . 0.0 110.087 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.74 -34.35 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.326 -0.859 . . . . 0.0 110.03 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CE2' HG22 ' A' ' 108' ' ' VAL . 9.4 m-85 -73.79 -34.52 64.67 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.332 -0.855 . . . . 0.0 110.217 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.43 97.3 9.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.866 . . . . 0.0 110.157 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.83 -27.31 23.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 110.359 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -60.91 -28.18 68.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.362 -0.836 . . . . 0.0 110.283 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.52 33.51 8.52 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.22 -64.04 1.37 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.366 -1.079 . . . . 0.0 110.145 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.4 -24.31 5.0 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.91 104.47 10.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -1.137 . . . . 0.0 110.329 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.3 pt -111.98 160.45 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.37 -0.831 . . . . 0.0 110.135 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -79.49 160.16 26.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.36 -0.838 . . . . 0.0 110.28 -179.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.96 -32.94 48.83 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.366 -0.834 . . . . 0.0 110.462 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.01 -56.73 17.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.83 . . . . 0.0 110.173 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -61.46 -30.9 70.89 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.402 -0.811 . . . . 0.0 109.961 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -42.47 72.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 109.965 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -62.53 -42.34 99.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.354 -0.841 . . . . 0.0 109.946 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.11 -40.25 97.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.883 . . . . 0.0 110.035 179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.417 HG22 ' CE2' ' A' ' 92' ' ' PHE . 76.5 t -62.83 -45.31 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.402 -0.811 . . . . 0.0 109.957 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -30.76 70.53 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.33 -0.857 . . . . 0.0 110.065 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.3 m -80.0 -42.47 23.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.434 -0.791 . . . . 0.0 110.177 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.6 m -62.46 -42.37 99.43 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.438 -0.789 . . . . 0.0 110.15 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 64.9 mt -59.65 -21.84 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.844 . . . . 0.0 110.311 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.07 25.43 44.71 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.05 152.36 39.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -1.117 . . . . 0.0 110.09 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.55 25.74 3.81 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.316 -0.865 . . . . 0.0 110.043 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 3.3 mm? -68.01 112.93 5.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.374 -0.829 . . . . 0.0 110.252 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.3 p -69.66 164.95 22.26 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.365 -0.834 . . . . 0.0 110.162 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.4 -28.77 68.5 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.312 -0.867 . . . . 0.0 110.136 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.26 74.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.291 -0.881 . . . . 0.0 110.074 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.23 -52.03 51.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.36 -0.837 . . . . 0.0 110.034 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.95 -27.33 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.348 -0.845 . . . . 0.0 109.855 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.25 -48.71 49.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.467 -0.77 . . . . 0.0 110.096 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.0 -29.06 64.91 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 0.0 110.077 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.429 ' CE ' ' CE2' ' A' ' 140' ' ' PHE . 3.3 ttp -80.01 -28.86 39.35 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.46 -0.775 . . . . 0.0 110.081 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.5 mt -74.11 -36.66 64.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.455 -0.778 . . . . 0.0 110.168 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -34.25 77.72 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.36 -0.838 . . . . 0.0 110.223 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.98 -29.81 39.62 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.385 -0.822 . . . . 0.0 110.361 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 64.9 t -89.88 -36.39 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.329 -0.857 . . . . 0.0 110.256 -179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.7 p -60.94 102.23 0.19 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.279 -0.888 . . . . 0.0 110.239 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -167.45 33.43 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.376 -0.828 . . . . 0.0 110.238 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -127.54 -86.47 0.54 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 m -142.22 -61.56 0.45 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.31 -1.112 . . . . 0.0 110.223 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -157.26 -45.06 0.02 OUTLIER Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -80.62 153.84 27.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.434 -1.039 . . . . 0.0 110.205 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 80.7 mt -119.77 146.82 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.371 -0.83 . . . . 0.0 110.086 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -82.34 136.24 35.04 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.399 -0.813 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 16.8 pt -73.85 -21.14 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.807 . . . . 0.0 110.366 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -54.64 43.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.287 -0.883 . . . . 0.0 110.193 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -62.26 -41.76 98.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.417 -0.802 . . . . 0.0 110.148 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.429 ' CE2' ' CE ' ' A' ' 124' ' ' MET . 0.3 OUTLIER -66.86 -46.03 76.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.018 179.886 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.72 73.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.36 -0.838 . . . . 0.0 110.168 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.72 -27.62 50.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.356 -0.84 . . . . 0.0 110.154 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.77 -30.88 63.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.395 -0.816 . . . . 0.0 110.208 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.58 -27.04 45.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.29 -0.881 . . . . 0.0 110.204 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.1 t -76.96 -73.42 0.29 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.421 -0.799 . . . . 0.0 110.171 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 12.9 mttt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.239 179.965 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.16 0.505 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t 52.51 76.41 0.19 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.341 -0.85 . . . . 0.0 110.443 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -168.39 96.82 0.41 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.433 -0.792 . . . . 0.0 110.139 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.8 mt -84.19 130.26 34.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.474 -0.766 . . . . 0.0 110.359 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 p -89.13 179.35 6.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -0.77 . . . . 0.0 109.94 179.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.44 -37.04 79.68 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 110.35 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -65.26 -47.49 76.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.332 -0.855 . . . . 0.0 110.04 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 4.5 mt-30 -67.33 -43.32 81.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -0.805 . . . . 0.0 109.941 179.802 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.03 -31.48 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.392 -0.817 . . . . 0.0 109.939 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.62 -41.82 75.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 0.0 109.958 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -59.36 -52.28 66.33 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.332 -0.855 . . . . 0.0 109.766 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.438 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 22.9 m-85 -60.13 -30.13 69.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.423 -0.798 . . . . 0.0 109.415 179.374 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -60.84 -46.33 90.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.566 -0.709 . . . . 0.0 109.926 179.579 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.07 -44.25 96.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.454 -0.779 . . . . 0.0 110.153 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.86 -35.73 72.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.359 -0.838 . . . . 0.0 110.197 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -71.03 -48.47 52.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.393 -0.817 . . . . 0.0 110.098 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.7 67.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.386 -0.821 . . . . 0.0 110.178 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mt -64.17 -37.01 85.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.34 -0.85 . . . . 0.0 110.225 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' CZ ' HG21 ' A' ' 34' ' ' THR . 85.2 m-85 -105.14 26.48 9.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.357 -0.84 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -99.55 113.78 26.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -111.23 -22.33 11.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.424 -0.798 . . . . 0.0 110.345 -179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -76.69 -3.71 39.39 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.322 -0.861 . . . . 0.0 110.681 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.6 t30 54.77 30.76 14.18 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.112 -0.992 . . . . 0.0 110.325 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -133.24 21.22 4.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.353 -0.842 . . . . 0.0 110.352 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.64 48.48 86.01 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -146.49 129.35 16.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -1.063 . . . . 0.0 110.316 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 pt -121.32 155.35 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.367 -0.833 . . . . 0.0 110.175 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.42 158.72 24.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -29.35 70.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.313 -0.867 . . . . 0.0 110.15 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 t -59.79 -28.88 67.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.437 -0.789 . . . . 0.0 110.183 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -97.47 -12.62 22.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.367 -0.833 . . . . 0.0 110.375 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.5 tp -57.03 -52.74 64.07 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.237 -0.914 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.4 -36.28 71.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.354 -0.841 . . . . 0.0 110.208 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.414 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 79.3 m -69.86 -37.23 76.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.403 -0.811 . . . . 0.0 109.892 179.821 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.7 t -61.58 -36.79 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.391 -0.818 . . . . 0.0 109.942 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 mtt -71.38 -38.21 71.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.016 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -66.19 -34.81 78.88 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.405 -0.81 . . . . 0.0 110.211 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.01 -33.59 39.13 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.147 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.45 -22.69 67.04 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.319 -0.863 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.48 31.62 1.63 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 mt -122.57 -177.74 3.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -1.093 . . . . 0.0 110.185 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.4 t -168.76 70.05 0.75 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.842 . . . . 0.0 110.17 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.0 137.67 26.98 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.765 1.402 . . . . 0.0 110.378 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 171.7 1.71 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.159 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.25 -28.3 67.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.292 -0.88 . . . . 0.0 110.116 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.42 73.21 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 110.09 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.45 -31.08 70.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.39 -0.819 . . . . 0.0 109.993 179.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.9 t -74.31 -44.47 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.829 . . . . 0.0 109.898 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.67 -35.21 79.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.361 -0.837 . . . . 0.0 109.945 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.01 -47.5 74.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.391 -0.818 . . . . 0.0 110.0 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.82 -37.49 84.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.838 . . . . 0.0 110.025 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.4 mtt -70.75 -31.87 68.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.875 . . . . 0.0 110.043 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -67.59 -38.69 84.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.378 -0.826 . . . . 0.0 110.079 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -76.55 -29.03 56.51 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.455 -0.778 . . . . 0.0 110.071 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.423 HG23 ' CG ' ' A' ' 61' ' ' HIS . 9.3 mt -90.34 -62.32 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.361 -0.837 . . . . 0.0 109.992 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.12 112.25 1.46 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.332 -0.855 . . . . 0.0 110.399 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -94.25 -37.21 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.449 -0.782 . . . . 0.0 110.153 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -133.81 -65.48 0.67 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.32 -0.862 . . . . 0.0 110.384 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.6 -66.77 0.07 OUTLIER Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -121.0 120.43 35.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.375 -1.073 . . . . 0.0 110.231 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.423 ' CG ' HG23 ' A' ' 55' ' ' ILE . 7.2 t60 -107.09 137.31 45.4 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.358 -0.839 . . . . 0.0 110.004 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -92.49 103.4 15.82 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.386 -0.821 . . . . 0.0 110.234 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.92 132.59 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.298 -0.876 . . . . 0.0 110.108 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -90.89 160.16 15.84 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.344 -0.848 . . . . 0.0 110.071 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CZ ' ' HD3' ' A' ' 13' ' ' LYS . 27.5 t80 -58.35 -33.32 69.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.212 -0.93 . . . . 0.0 110.203 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 p -65.65 -55.22 18.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.411 -0.806 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -62.62 -36.12 81.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.348 -0.845 . . . . 0.0 110.09 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.404 ' CE2' ' HG3' ' A' ' 72' ' ' MET . 90.5 t80 -63.97 -45.26 89.88 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.386 -0.821 . . . . 0.0 110.027 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.415 HD13 ' CE2' ' A' ' 65' ' ' PHE . 38.3 mt -58.49 -43.02 88.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.349 -0.844 . . . . 0.0 110.137 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.47 -49.08 75.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.3 -0.875 . . . . 0.0 110.048 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.48 -39.51 91.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.385 -0.822 . . . . 0.0 110.081 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.438 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 86.4 mmm -62.66 -41.43 99.06 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.4 t -59.59 -43.97 93.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.317 -0.865 . . . . 0.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -68.96 -27.75 66.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.385 -0.822 . . . . 0.0 110.041 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -81.98 -27.5 33.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.374 -0.829 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 mt -81.89 57.29 3.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.264 -0.898 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -146.29 -178.12 5.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.335 -0.853 . . . . 0.0 110.209 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 90.9 p -91.93 -32.29 15.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.408 -0.807 . . . . 0.0 110.202 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -139.25 168.58 19.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.411 -0.806 . . . . 0.0 110.142 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.04 135.77 36.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.352 -0.842 . . . . 0.0 110.176 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -18.45 63.85 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.341 -0.849 . . . . 0.0 110.465 -179.881 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -57.76 -58.29 9.01 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.303 -0.873 . . . . 0.0 110.318 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -60.85 -37.17 81.19 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.327 -0.858 . . . . 0.0 110.099 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.78 -33.4 75.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.375 -0.828 . . . . 0.0 110.056 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.64 -43.26 80.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.381 -0.824 . . . . 0.0 110.126 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.9 -38.03 89.32 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.356 -0.84 . . . . 0.0 110.087 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.22 -45.74 83.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.42 -0.8 . . . . 0.0 110.157 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.42 -46.23 84.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.394 -0.817 . . . . 0.0 110.113 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' CD1' ' CG2' ' A' ' 137' ' ' ILE . 5.4 m-85 -60.95 -31.83 71.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.376 -0.827 . . . . 0.0 110.057 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -71.48 -39.13 71.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 110.066 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.92 -40.25 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.792 . . . . 0.0 109.957 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -70.14 -27.23 64.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.373 -0.83 . . . . 0.0 110.241 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -72.5 -156.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.33 -0.856 . . . . 0.0 110.23 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -110.84 -73.51 0.68 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 110.227 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -113.15 -50.65 2.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.86 . . . . 0.0 110.215 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.88 42.41 0.02 OUTLIER Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 32.1 p-10 -94.42 -23.99 17.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.364 -1.08 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.61 51.47 6.5 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.5 mt -146.52 93.73 2.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.384 -1.068 . . . . 0.0 110.195 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.0 pt -114.32 160.44 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.383 -0.823 . . . . 0.0 110.229 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.0 m -79.7 160.24 26.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.391 -0.818 . . . . 0.0 110.239 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.36 63.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.325 -0.86 . . . . 0.0 110.487 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.68 -58.5 7.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.315 -0.866 . . . . 0.0 110.089 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -59.47 -28.95 67.47 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.398 -0.814 . . . . 0.0 110.05 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.426 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 2.3 tp -68.7 -43.21 76.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.435 -0.791 . . . . 0.0 110.138 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -65.47 -39.68 92.28 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.367 -0.833 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -64.35 -38.97 92.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 110.241 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.3 t -62.55 -44.14 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.381 -0.825 . . . . 0.0 110.101 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.56 -36.24 80.07 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.422 -0.798 . . . . 0.0 110.169 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.4 m -79.97 -37.46 34.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.351 -0.843 . . . . 0.0 110.186 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -63.18 -42.61 99.4 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.383 -0.823 . . . . 0.0 110.176 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 70.2 mt -61.91 -29.44 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.444 -0.785 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.16 28.3 20.8 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.22 147.0 40.71 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.428 -1.043 . . . . 0.0 110.091 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -82.07 58.47 3.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.357 -0.839 . . . . 0.0 110.237 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.5 mt -123.31 104.76 9.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.343 -0.848 . . . . 0.0 110.191 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.8 p -67.47 -176.56 0.61 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.323 -0.861 . . . . 0.0 110.224 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -67.65 -27.57 66.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.382 -0.824 . . . . 0.0 110.212 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.12 83.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.323 -0.861 . . . . 0.0 110.131 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.67 -47.75 82.31 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 110.142 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.4 t -61.02 -32.36 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.303 -0.873 . . . . 0.0 109.983 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.18 -47.38 80.06 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.379 -0.826 . . . . 0.0 110.015 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -31.65 72.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.067 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.452 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 14.9 ttp -80.09 -29.55 39.09 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.425 -0.797 . . . . 0.0 110.123 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.42 -40.15 85.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.848 . . . . 0.0 110.136 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -68.08 -30.78 70.05 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.383 -0.823 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -26.48 39.44 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.329 -0.857 . . . . 0.0 110.389 -179.843 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 65.5 t -96.9 -37.56 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 110.209 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.8 p -60.91 119.04 7.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.324 -0.86 . . . . 0.0 110.27 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -167.28 33.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.36 -0.837 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.49 -77.05 0.14 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -158.35 -63.62 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -1.096 . . . . 0.0 110.134 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.07 29.98 0.59 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -143.59 156.07 44.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -1.068 . . . . 0.0 110.225 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.452 HG22 HD11 ' A' ' 135' ' ' ILE . 82.5 mt -133.64 148.89 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 110.164 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -92.6 140.46 29.52 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.398 -0.813 . . . . 0.0 110.208 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.419 ' CG2' ' CD1' ' A' ' 89' ' ' PHE . 3.0 pt -72.21 -16.32 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.375 -0.828 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -56.68 19.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.225 -0.922 . . . . 0.0 110.382 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -63.46 -44.89 93.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.346 -0.846 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.452 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -64.11 -46.9 82.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.363 -0.836 . . . . 0.0 110.23 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.24 -28.53 69.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.281 -0.887 . . . . 0.0 110.274 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.25 -32.29 58.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.385 -0.822 . . . . 0.0 110.249 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.3 mt -74.71 -38.3 62.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 0.0 110.243 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.5 mt -69.45 -27.25 65.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.315 -0.865 . . . . 0.0 110.21 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 t -87.88 -33.64 18.46 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.327 -0.858 . . . . 0.0 110.155 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.272 -179.99 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.8 p . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.231 0.538 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' ASN . 2.5 t -64.44 134.68 55.01 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.319 -0.863 . . . . 0.0 110.179 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 2' ' ' SER . 34.0 m120 57.48 113.9 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.574 -0.704 . . . . 0.0 110.549 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.59 120.9 6.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.251 -0.906 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.8 p -87.71 -173.63 4.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.36 -0.837 . . . . 0.0 109.945 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -63.42 -33.55 75.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.235 -0.916 . . . . 0.0 110.142 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -66.9 -47.67 71.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.334 -0.854 . . . . 0.0 109.967 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -67.86 -43.96 78.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.808 . . . . 0.0 109.89 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -67.75 -30.19 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.348 -0.845 . . . . 0.0 109.803 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.79 -34.96 76.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.358 -0.838 . . . . 0.0 109.788 179.583 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -67.74 -49.46 62.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.47 -0.769 . . . . 0.0 109.895 179.675 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 25.6 m-85 -60.5 -39.68 88.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.303 -0.873 . . . . 0.0 109.898 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -58.91 -41.44 87.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.404 -0.81 . . . . 0.0 110.245 179.742 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.16 -57.05 14.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.459 -0.776 . . . . 0.0 110.099 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.24 -23.62 67.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' CZ ' HG12 ' A' ' 27' ' ' ILE . 8.9 t80 -80.17 -38.86 30.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.147 -0.97 . . . . 0.0 110.088 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -24.8 63.47 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.384 -0.822 . . . . 0.0 110.286 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -72.31 -26.22 61.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 34' ' ' THR . 66.3 m-85 -117.16 24.04 11.44 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.295 -0.878 . . . . 0.0 110.392 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -87.9 -173.25 4.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.225 -0.922 . . . . 0.0 110.339 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -109.14 6.83 25.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.825 . . . . 0.0 110.489 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 52.8 43.46 31.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.082 -1.011 . . . . 0.0 110.416 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -146.43 -66.1 0.29 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.376 -0.827 . . . . 0.0 110.198 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.84 -36.3 9.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.323 -0.86 . . . . 0.0 110.204 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.46 29.49 3.4 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.3 p -126.4 156.13 41.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.391 -1.064 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.407 HG12 ' CZ ' ' A' ' 16' ' ' PHE . 42.4 pt -118.88 160.12 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.34 -0.85 . . . . 0.0 110.273 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.58 158.04 23.24 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.332 -0.855 . . . . 0.0 110.075 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -28.91 70.01 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.4 -0.813 . . . . 0.0 110.218 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -62.31 -36.39 82.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.348 -0.845 . . . . 0.0 110.236 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -85.21 -10.98 55.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.361 -0.837 . . . . 0.0 110.459 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.2 tp -57.85 -49.53 76.36 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.19 -0.944 . . . . 0.0 110.477 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.13 88.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.268 -0.895 . . . . 0.0 110.331 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.418 HG21 ' CE2' ' A' ' 19' ' ' PHE . 57.3 m -68.0 -41.25 82.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.306 -0.871 . . . . 0.0 110.124 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.83 -32.63 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.419 -0.8 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.8 mtt -74.17 -33.81 63.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.86 . . . . 0.0 109.967 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -66.78 -34.52 78.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.429 -0.794 . . . . 0.0 110.174 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -29.28 38.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.376 -0.828 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.3 mt -73.37 -23.88 60.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.323 -0.861 . . . . 0.0 110.244 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.15 35.07 0.9 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.1 mt -124.28 164.56 19.32 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.304 -1.115 . . . . 0.0 110.062 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 t -160.13 66.98 2.69 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 0.0 110.2 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.75 137.3 24.55 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.673 1.354 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.07 175.12 0.74 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.394 -0.817 . . . . 0.0 110.084 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.82 -28.3 68.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 110.19 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.51 -42.0 71.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.309 -0.869 . . . . 0.0 110.053 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.13 -40.94 95.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.408 -0.808 . . . . 0.0 110.112 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.6 t -63.1 -40.71 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.432 -0.793 . . . . 0.0 109.942 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -41.73 97.59 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.367 -0.833 . . . . 0.0 110.068 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.34 -48.13 82.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 110.093 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.4 -44.27 96.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.437 -0.789 . . . . 0.0 110.112 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 mtt -66.84 -28.81 68.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.342 -0.849 . . . . 0.0 109.921 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -67.15 -38.87 86.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.411 -0.806 . . . . 0.0 110.006 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -74.15 -30.91 62.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.347 -0.846 . . . . 0.0 109.996 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.403 HG23 ' CD2' ' A' ' 61' ' ' HIS . 20.6 mt -85.53 -60.74 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.428 -0.795 . . . . 0.0 109.92 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -64.24 103.82 0.67 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.391 -0.818 . . . . 0.0 110.188 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -112.51 -63.71 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.418 -0.801 . . . . 0.0 110.156 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -95.07 39.3 1.11 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.402 -0.811 . . . . 0.0 110.298 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.17 -66.68 0.64 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -115.89 158.06 23.54 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.314 -1.109 . . . . 0.0 110.289 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.403 ' CD2' HG23 ' A' ' 55' ' ' ILE . 4.2 t60 -163.69 121.88 1.9 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.432 -0.792 . . . . 0.0 110.027 179.889 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -87.27 121.59 29.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.37 -0.831 . . . . 0.0 110.172 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.0 mt -80.09 121.2 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.16 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.06 160.27 18.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.37 -0.831 . . . . 0.0 109.999 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CE2' HD12 ' A' ' 69' ' ' LEU . 16.9 t80 -56.58 -27.26 57.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.303 -0.873 . . . . 0.0 110.383 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.8 t -69.6 -54.97 11.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.345 -0.847 . . . . 0.0 110.009 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.98 -29.41 70.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.823 . . . . 0.0 110.055 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.46 -48.64 66.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.317 -0.865 . . . . 0.0 110.058 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD12 ' CE2' ' A' ' 65' ' ' PHE . 38.9 mt -58.77 -42.54 89.17 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.299 -0.875 . . . . 0.0 109.992 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.14 -47.08 75.24 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.467 -0.77 . . . . 0.0 109.855 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.6 mt -62.36 -35.21 78.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.398 -0.814 . . . . 0.0 109.909 179.703 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.426 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 86.1 mmm -68.81 -37.4 79.21 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.396 -0.815 . . . . 0.0 109.873 179.675 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.6 p -61.59 -42.63 99.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.452 -0.78 . . . . 0.0 109.99 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -66.2 -39.18 89.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.445 -0.784 . . . . 0.0 109.742 179.783 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.409 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 53.5 mm-40 -68.2 -42.76 79.43 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.517 -0.74 . . . . 0.0 109.754 179.623 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.85 -42.79 57.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 109.697 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 tptt 51.69 90.56 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.549 -0.719 . . . . 0.0 110.683 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.1 m -116.21 -37.68 3.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.534 -0.729 . . . . 0.0 109.947 179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -124.8 -160.99 0.98 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.485 -0.759 . . . . 0.0 110.019 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -156.3 148.13 22.95 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.307 -0.871 . . . . 0.0 110.233 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.35 -26.7 42.04 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.384 -0.822 . . . . 0.0 110.228 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.65 -56.57 20.17 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.362 -0.836 . . . . 0.0 110.27 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -58.63 -36.71 74.49 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.37 -0.831 . . . . 0.0 110.217 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.87 -29.84 70.98 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.292 -0.88 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.83 -48.12 33.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.381 -0.825 . . . . 0.0 110.028 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.2 -27.02 69.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.831 . . . . 0.0 110.076 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.31 -48.49 22.92 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.427 -0.796 . . . . 0.0 110.235 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.16 78.76 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.346 -0.846 . . . . 0.0 110.193 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.41 ' CD1' HG21 ' A' ' 137' ' ' ILE . 20.3 m-85 -62.28 -35.13 78.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.269 -0.895 . . . . 0.0 110.16 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -63.01 -33.97 76.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.343 -0.848 . . . . 0.0 110.268 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.38 -27.66 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.353 -0.842 . . . . 0.0 110.405 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CE2' ' CG2' ' A' ' 108' ' ' VAL . 6.8 m-85 -80.03 -10.39 59.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.267 -0.896 . . . . 0.0 111.086 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -60.02 -164.91 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.067 -1.02 . . . . 0.0 110.27 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -129.41 -59.49 1.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.316 -0.865 . . . . 0.0 110.241 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.91 -74.24 0.61 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.358 -0.839 . . . . 0.0 110.203 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.07 -49.41 0.02 OUTLIER Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.96 129.97 43.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -1.079 . . . . 0.0 110.211 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.27 88.9 0.06 OUTLIER Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.1 mt -136.74 103.43 5.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.41 -1.053 . . . . 0.0 110.201 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.8 pt -119.76 158.75 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.381 -0.824 . . . . 0.0 110.24 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.8 t -80.02 160.19 25.94 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.413 -0.805 . . . . 0.0 110.156 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.32 -30.26 50.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.365 -0.834 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.84 -54.08 26.03 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.835 . . . . 0.0 110.047 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.02 -32.37 72.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.347 -0.846 . . . . 0.0 109.925 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.31 -42.82 74.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.382 -0.824 . . . . 0.0 109.988 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -62.44 -41.18 98.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.393 -0.817 . . . . 0.0 110.097 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -66.22 -32.99 74.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.406 -0.809 . . . . 0.0 110.097 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.451 ' CG2' ' CE2' ' A' ' 92' ' ' PHE . 59.6 t -79.97 -40.85 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.466 -0.771 . . . . 0.0 110.077 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -31.29 72.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.258 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.3 m -80.17 -37.79 32.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 110.352 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.8 t -61.07 -35.34 76.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.322 -0.861 . . . . 0.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.64 -28.25 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.304 -0.873 . . . . 0.0 110.039 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.55 37.07 58.41 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.66 176.08 0.71 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.436 -1.038 . . . . 0.0 110.167 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.25 52.28 2.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.367 -0.833 . . . . 0.0 110.096 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.3 mt -135.54 131.5 36.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.227 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.8 p -84.96 -167.86 1.99 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.358 -0.839 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -74.36 -34.9 63.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -0.796 . . . . 0.0 110.257 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.35 86.94 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.349 -0.844 . . . . 0.0 110.205 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.56 -50.68 62.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -60.12 -27.23 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.347 -0.846 . . . . 0.0 110.165 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.92 -48.4 63.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.2 -27.0 68.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.458 -0.776 . . . . 0.0 110.17 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.1 ttp -78.65 -28.1 45.38 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.83 . . . . 0.0 110.268 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.73 -38.2 62.35 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.331 -0.856 . . . . 0.0 110.172 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -65.39 -34.3 77.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.385 -0.822 . . . . 0.0 110.252 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.1 -39.41 29.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.353 -0.842 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 60.4 t -80.58 -51.38 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.379 -0.825 . . . . 0.0 110.148 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.3 t -70.25 115.23 9.2 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.308 -0.87 . . . . 0.0 110.188 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -108.64 28.5 8.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.405 -0.809 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.19 56.97 3.3 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 t -126.42 -44.68 1.69 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.337 -1.096 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 127.88 -63.98 0.6 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.56 155.75 16.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.292 -1.122 . . . . 0.0 110.177 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 87.7 mt -126.06 146.05 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 0.0 110.162 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -80.12 126.72 31.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.433 -0.792 . . . . 0.0 110.162 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.41 HG21 ' CD1' ' A' ' 89' ' ' PHE . 3.5 pt -68.5 -18.01 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.43 -0.794 . . . . 0.0 110.499 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -69.21 -43.42 74.14 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.241 -0.912 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -68.7 -43.55 75.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.41 -0.806 . . . . 0.0 110.243 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -42.56 96.29 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.279 -0.888 . . . . 0.0 110.134 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.56 80.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 110.223 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.45 69.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.44 -0.788 . . . . 0.0 110.156 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.23 -30.59 67.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.383 -0.823 . . . . 0.0 110.113 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.92 -18.32 50.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.446 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.3 m -59.42 -31.21 69.06 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.244 -0.91 . . . . 0.0 110.317 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.207 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.237 0.541 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 t -163.59 167.57 21.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.317 -0.864 . . . . 0.0 110.2 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -156.54 155.5 32.04 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.359 -0.838 . . . . 0.0 110.22 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.71 128.96 39.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.339 -0.851 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 p -71.13 166.81 20.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.081 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.19 -34.33 72.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.392 -0.817 . . . . 0.0 110.285 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.32 -50.02 67.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.404 -0.81 . . . . 0.0 110.102 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 6.5 mt-30 -64.25 -41.46 96.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -0.809 . . . . 0.0 110.131 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.46 -32.39 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.274 -0.891 . . . . 0.0 109.953 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.1 -35.63 76.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.347 -0.846 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.18 -49.72 63.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.277 -0.889 . . . . 0.0 110.136 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 23.3 m-85 -61.72 -34.39 75.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.096 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -63.64 -41.94 98.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.311 -0.868 . . . . 0.0 110.066 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.97 -48.31 80.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.408 -0.808 . . . . 0.0 110.142 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.48 -35.71 80.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.361 -0.837 . . . . 0.0 110.197 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -67.44 -50.22 60.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.385 -0.822 . . . . 0.0 110.223 179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.97 68.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.377 -0.827 . . . . 0.0 110.241 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.0 -36.24 80.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.399 -0.813 . . . . 0.0 110.168 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' CZ ' HG22 ' A' ' 34' ' ' THR . 85.5 m-85 -106.81 27.09 9.26 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.376 -0.828 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -132.0 82.54 2.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.407 -0.808 . . . . 0.0 110.133 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -96.55 32.25 2.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.377 -0.827 . . . . 0.0 110.231 -179.88 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.34 7.96 31.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.342 -0.849 . . . . 0.0 110.596 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 51.98 33.26 11.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.191 -0.943 . . . . 0.0 110.553 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -125.86 -58.93 1.37 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.391 -0.818 . . . . 0.0 110.221 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.62 41.95 0.36 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.1 p -146.7 136.99 23.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -1.115 . . . . 0.0 110.164 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 pt -120.88 159.63 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.81 160.03 21.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -63.4 -28.74 70.19 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.341 -0.849 . . . . 0.0 110.229 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -61.72 -28.66 69.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.301 -0.875 . . . . 0.0 110.243 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -95.89 -12.14 25.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.385 -0.822 . . . . 0.0 110.531 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -56.09 -55.49 32.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.245 -0.909 . . . . 0.0 110.347 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.16 70.68 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.289 -0.882 . . . . 0.0 110.189 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.405 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 65.5 m -70.59 -38.78 74.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.424 -0.797 . . . . 0.0 110.061 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.3 t -62.09 -36.16 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.41 -0.806 . . . . 0.0 109.885 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.3 mtt -72.44 -34.84 68.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.443 -0.786 . . . . 0.0 109.933 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -66.42 -33.55 75.97 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.429 -0.795 . . . . 0.0 110.15 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 m -79.15 -31.33 43.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.818 . . . . 0.0 110.19 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mt -68.33 -21.13 64.76 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.331 -0.855 . . . . 0.0 110.362 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.89 31.91 1.66 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.7 mt -122.32 176.77 5.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.37 -1.077 . . . . 0.0 110.19 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -168.77 69.9 0.74 Allowed Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.113 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.72 138.48 29.15 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.744 1.391 . . . . 0.0 110.365 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.39 167.87 0.89 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.288 -0.883 . . . . 0.0 110.139 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.23 -29.69 67.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.406 -0.809 . . . . 0.0 110.098 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.52 -41.73 72.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -0.831 . . . . 0.0 110.01 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.02 -40.68 96.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.443 -0.786 . . . . 0.0 109.962 179.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.2 -49.19 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.398 -0.814 . . . . 0.0 109.936 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.24 -46.1 65.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.327 -0.858 . . . . 0.0 110.428 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -56.7 -47.07 80.72 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.237 -0.915 . . . . 0.0 109.941 179.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.6 mt -65.52 -51.81 57.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.464 -0.772 . . . . 0.0 109.845 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.33 -25.96 68.55 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.359 -0.838 . . . . 0.0 110.159 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -68.98 -39.25 79.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.352 -0.842 . . . . 0.0 109.839 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -75.25 -31.85 60.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.475 -0.766 . . . . 0.0 109.728 179.64 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.415 HG22 ' CD2' ' A' ' 61' ' ' HIS . 15.9 mt -84.23 -62.63 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.493 -0.754 . . . . 0.0 109.857 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.27 120.26 9.48 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.431 -0.793 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.3 t -120.23 -62.59 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.369 -0.832 . . . . 0.0 110.186 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -98.6 36.32 1.66 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.358 -0.839 . . . . 0.0 110.134 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.21 -56.96 1.06 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -115.09 158.48 22.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.382 -1.069 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.415 ' CD2' HG22 ' A' ' 55' ' ' ILE . 5.4 t60 -168.23 122.96 0.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.347 -0.845 . . . . 0.0 110.131 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -87.04 116.05 24.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 0.0 110.068 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.91 136.26 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.379 -0.826 . . . . 0.0 110.295 -179.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -97.94 160.22 14.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.441 -0.787 . . . . 0.0 109.917 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CE2' HD13 ' A' ' 69' ' ' LEU . 16.9 t80 -57.14 -27.12 61.57 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.85 . . . . 0.0 110.412 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.8 m -68.8 -61.22 1.9 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.265 -0.897 . . . . 0.0 110.113 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.65 -28.79 70.16 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -0.796 . . . . 0.0 110.07 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -67.44 -47.3 70.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 110.076 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.427 HD13 ' CE2' ' A' ' 65' ' ' PHE . 34.6 mt -60.95 -38.34 85.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.342 -0.848 . . . . 0.0 110.081 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.72 96.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.345 -0.847 . . . . 0.0 110.18 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.1 mt -63.76 -46.72 84.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 0.0 110.084 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.4 mtp -64.45 -38.82 92.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.386 -0.821 . . . . 0.0 110.023 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.7 t -60.13 -34.43 73.51 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.351 -0.843 . . . . 0.0 110.201 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -34.29 59.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.308 -0.87 . . . . 0.0 109.949 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.11 -30.6 25.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.398 -0.813 . . . . 0.0 110.516 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mt -97.95 30.34 3.08 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.229 -0.919 . . . . 0.0 110.355 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 135.25 48.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.37 -0.832 . . . . 0.0 110.173 179.832 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -58.52 100.98 0.07 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.289 -0.882 . . . . 0.0 110.116 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 t30 61.48 154.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.418 -0.801 . . . . 0.0 110.113 -179.812 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -159.7 26.95 0.19 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.329 -0.857 . . . . 0.0 110.302 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 t -59.91 -36.59 77.33 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.08 -55.68 8.85 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.459 -0.776 . . . . 0.0 110.209 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -55.46 -41.35 72.78 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.35 -0.844 . . . . 0.0 110.364 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.54 -34.3 77.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.015 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.414 HD23 ' CE2' ' A' ' 89' ' ' PHE . 10.1 mt -67.41 -48.93 65.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.389 -0.819 . . . . 0.0 109.919 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.09 -40.04 94.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.436 -0.79 . . . . 0.0 109.872 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -43.86 53.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.463 -0.773 . . . . 0.0 110.005 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.4 90.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.472 -0.767 . . . . 0.0 110.295 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CD1' HG22 ' A' ' 137' ' ' ILE . 9.8 m-85 -63.02 -38.8 92.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.381 -0.825 . . . . 0.0 110.183 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -38.8 83.8 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.295 -0.878 . . . . 0.0 110.307 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.7 t -72.13 -37.93 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.293 -0.879 . . . . 0.0 110.02 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.2 m-85 -73.99 -30.78 62.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.165 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 95' ' ' ASN . 6.6 t70 -68.15 -23.27 64.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.342 -0.849 . . . . 0.0 110.231 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.54 -72.62 0.06 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.54 -0.725 . . . . 0.0 110.436 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -57.74 -53.91 52.8 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.234 -0.916 . . . . 0.0 110.308 -179.912 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.57 33.71 2.41 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.2 -39.66 9.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.401 -1.058 . . . . 0.0 110.187 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.17 33.12 2.41 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt -140.48 122.13 15.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.354 -1.086 . . . . 0.0 110.217 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 pt -143.29 160.7 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.443 -0.785 . . . . 0.0 110.172 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 m -79.2 160.12 27.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.377 -0.827 . . . . 0.0 110.288 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.23 -30.21 49.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.396 -0.815 . . . . 0.0 110.506 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.73 -57.46 11.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.267 -0.896 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.39 -32.37 72.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.416 -0.803 . . . . 0.0 109.944 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.421 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 0.7 OUTLIER -68.6 -41.43 79.61 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.482 -0.761 . . . . 0.0 110.042 179.882 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -41.17 97.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.329 -0.857 . . . . 0.0 110.082 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -64.73 -33.87 76.99 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.404 -0.81 . . . . 0.0 110.072 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.449 ' CG2' ' CD2' ' A' ' 92' ' ' PHE . 63.4 t -70.61 -43.99 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 0.0 110.056 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.51 -30.65 71.43 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.407 -0.808 . . . . 0.0 110.19 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.3 m -78.84 -32.18 46.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.435 -0.791 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.38 -37.77 71.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.306 -0.871 . . . . 0.0 110.184 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.83 -26.68 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.415 -0.803 . . . . 0.0 110.03 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.48 28.97 50.86 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.78 157.79 23.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.386 -1.067 . . . . 0.0 110.177 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.69 58.75 5.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.232 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.4 mt -133.45 139.38 46.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.375 -0.828 . . . . 0.0 110.178 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.5 p -101.85 -178.24 3.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.355 -0.84 . . . . 0.0 110.223 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.31 -31.77 72.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.353 -0.842 . . . . 0.0 110.157 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.24 82.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.353 -0.842 . . . . 0.0 110.198 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.63 -47.69 82.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.315 -0.866 . . . . 0.0 110.087 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.57 -29.14 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.36 -0.838 . . . . 0.0 109.991 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.5 -47.77 71.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.376 -0.828 . . . . 0.0 109.995 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.27 -28.76 69.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.403 -0.81 . . . . 0.0 110.013 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.402 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -79.47 -36.71 38.32 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.324 -0.86 . . . . 0.0 110.097 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.65 -39.5 94.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.368 -0.833 . . . . 0.0 110.227 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -61.8 -38.6 88.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.279 -0.888 . . . . 0.0 110.305 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -80.19 -36.68 34.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.334 -0.853 . . . . 0.0 110.522 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.407 ' CG1' ' CG2' ' A' ' 135' ' ' ILE . 59.7 t -80.88 -25.98 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.358 -0.839 . . . . 0.0 110.406 -179.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.1 t -59.72 100.38 0.08 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.284 -0.885 . . . . 0.0 110.271 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -113.57 -28.94 7.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.84 -98.39 2.37 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.6 m -158.35 -59.7 0.08 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.447 -1.031 . . . . 0.0 110.177 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -126.04 29.91 4.49 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -145.4 138.09 26.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -1.043 . . . . 0.0 110.172 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.439 HD12 HG22 ' A' ' 135' ' ' ILE . 87.4 mt -134.71 145.89 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.386 -0.821 . . . . 0.0 110.107 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -80.72 129.96 34.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -0.792 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.418 HG22 ' CD1' ' A' ' 89' ' ' PHE . 11.7 pt -66.66 -20.53 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.326 -0.859 . . . . 0.0 110.492 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -70.7 -36.22 73.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.223 -0.923 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -68.33 -49.73 58.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.332 -0.855 . . . . 0.0 110.224 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.421 ' CZ ' HD23 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -65.22 -36.2 83.42 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.352 -0.842 . . . . 0.0 110.117 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.46 71.42 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.357 -0.84 . . . . 0.0 110.242 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.0 -34.7 38.26 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.829 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.5 mt -64.61 -42.39 95.57 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.381 -0.824 . . . . 0.0 110.278 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.0 mt -70.2 -48.77 55.66 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.285 -0.884 . . . . 0.0 110.145 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t -72.98 130.4 40.27 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.44 -0.787 . . . . 0.0 110.126 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.214 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.254 0.549 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -111.52 147.71 34.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.314 -0.866 . . . . 0.0 110.202 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -62.16 -170.88 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.419 -0.801 . . . . 0.0 110.248 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.7 mt -62.15 119.44 8.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.29 -0.881 . . . . 0.0 110.191 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.9 p -77.45 -179.93 6.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.368 -0.833 . . . . 0.0 110.079 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.98 -29.1 70.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.415 -0.803 . . . . 0.0 110.12 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -70.01 -46.54 64.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.396 -0.815 . . . . 0.0 110.057 179.829 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -66.78 -42.41 86.09 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.379 -0.825 . . . . 0.0 110.01 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.7 mt -67.96 -34.65 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.319 -0.863 . . . . 0.0 109.841 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.04 -31.7 72.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.375 -0.828 . . . . 0.0 109.84 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.01 -48.91 56.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 109.989 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -62.5 -36.84 83.8 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.373 -0.829 . . . . 0.0 110.016 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -62.99 -40.28 97.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.444 -0.785 . . . . 0.0 110.195 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.39 -52.71 62.52 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.335 -0.853 . . . . 0.0 110.18 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.98 86.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.353 -0.842 . . . . 0.0 110.204 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -67.25 -46.45 73.66 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.299 -0.876 . . . . 0.0 110.098 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -27.84 69.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.374 -0.828 . . . . 0.0 110.145 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.76 -34.04 76.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.29 -0.881 . . . . 0.0 110.144 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.427 ' CZ ' HG21 ' A' ' 34' ' ' THR . 91.4 m-85 -108.77 27.85 9.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.391 -0.818 . . . . 0.0 110.21 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -100.81 104.37 15.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.434 -0.791 . . . . 0.0 110.03 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -19.3 10.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.335 -0.853 . . . . 0.0 110.506 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.44 -82.57 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.144 -0.972 . . . . 0.0 110.324 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -173.95 -75.89 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.101 -0.999 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.71 -75.66 0.07 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.348 -0.845 . . . . 0.0 110.271 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -178.63 80.85 0.06 OUTLIER Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 p -148.0 139.92 24.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.38 -1.071 . . . . 0.0 110.158 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 pt -122.33 159.28 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.395 -0.815 . . . . 0.0 110.234 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -84.25 160.08 20.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 0.0 110.263 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -38.77 88.09 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.405 -0.81 . . . . 0.0 110.265 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -57.19 -28.84 63.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.342 -0.849 . . . . 0.0 110.337 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -91.47 -17.12 26.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 110.401 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.7 tp -56.45 -48.56 76.8 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.284 -0.885 . . . . 0.0 110.422 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.31 -38.63 84.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.896 . . . . 0.0 110.155 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.427 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 46.7 m -68.26 -37.17 80.45 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.019 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.1 t -61.49 -37.96 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.407 -0.808 . . . . 0.0 109.977 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.8 mtt -69.9 -38.34 76.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.368 -0.832 . . . . 0.0 110.012 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -64.47 -35.19 80.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.373 -0.83 . . . . 0.0 110.181 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -78.95 -34.19 44.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.375 -0.828 . . . . 0.0 110.204 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.35 -22.16 66.86 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.393 -0.817 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.42 30.66 1.83 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.9 mt -121.68 179.53 4.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.287 -1.125 . . . . 0.0 110.176 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.73 68.81 0.87 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.359 -0.838 . . . . 0.0 110.214 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.6 137.84 25.77 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.655 1.345 . . . . 0.0 110.344 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 169.44 2.3 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.399 -0.813 . . . . 0.0 110.114 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.78 -27.91 65.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.334 -0.854 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.81 -41.75 71.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 110.122 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.26 -36.05 81.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.413 -0.804 . . . . 0.0 110.144 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.34 -41.41 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.324 -0.86 . . . . 0.0 110.013 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -40.45 93.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.345 -0.847 . . . . 0.0 110.057 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.07 -50.42 72.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.367 -0.833 . . . . 0.0 110.018 179.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.82 -42.78 99.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.322 -0.861 . . . . 0.0 109.931 179.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 mtt -68.21 -29.17 67.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.859 . . . . 0.0 109.832 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -66.05 -38.93 89.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.439 -0.788 . . . . 0.0 109.891 179.723 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -72.57 -34.6 67.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.399 -0.813 . . . . 0.0 109.958 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.411 HG22 ' CD2' ' A' ' 61' ' ' HIS . 10.0 mt -83.9 -61.39 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.443 -0.786 . . . . 0.0 109.995 179.803 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.99 84.87 0.33 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.74 -69.2 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.435 -0.791 . . . . 0.0 110.167 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -90.13 -37.77 13.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.313 -0.867 . . . . 0.0 110.253 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.53 -35.34 0.23 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -117.08 122.84 45.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.373 -1.074 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.411 ' CD2' HG22 ' A' ' 55' ' ' ILE . 4.2 t60 -155.7 121.36 4.97 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.335 -0.853 . . . . 0.0 110.111 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -91.49 128.67 37.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.338 -0.851 . . . . 0.0 110.123 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.0 mt -87.7 127.7 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 110.242 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.73 160.07 16.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.461 -0.774 . . . . 0.0 110.041 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.41 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 22.2 t80 -56.66 -36.5 69.63 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.257 -0.902 . . . . 0.0 110.361 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.0 m -62.97 -54.67 34.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.393 -0.817 . . . . 0.0 110.119 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.62 -28.53 69.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.416 -0.802 . . . . 0.0 110.237 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -69.87 -47.95 60.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.481 -0.762 . . . . 0.0 110.24 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.5 mt -60.45 -35.74 76.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.356 -0.84 . . . . 0.0 110.11 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.2 -48.11 62.98 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.426 -0.796 . . . . 0.0 110.196 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.04 -42.76 99.09 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.381 -0.824 . . . . 0.0 110.201 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.5 mmm -63.44 -38.51 91.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.392 -0.817 . . . . 0.0 110.167 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -61.14 -39.46 90.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.347 -0.846 . . . . 0.0 110.203 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -70.35 -32.75 70.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.328 -0.857 . . . . 0.0 110.131 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -84.7 -33.73 23.1 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.385 -0.822 . . . . 0.0 110.167 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.3 mt -76.4 -31.76 58.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.307 -0.87 . . . . 0.0 110.167 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -85.12 60.64 6.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.295 -0.878 . . . . 0.0 110.109 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.9 t -119.98 -76.86 0.58 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.308 -0.87 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 t30 51.7 91.65 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.235 -0.915 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.58 67.78 1.02 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.415 -0.803 . . . . 0.0 110.311 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.09 -40.13 28.22 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.411 -0.805 . . . . 0.0 110.153 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.16 -35.79 81.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.327 -0.858 . . . . 0.0 110.236 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -72.74 -20.77 61.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.33 -0.856 . . . . 0.0 110.324 179.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -49.6 12.69 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.204 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.75 -39.8 74.65 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.937 -178.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.69 -43.84 83.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.577 -0.702 . . . . 0.0 109.707 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -58.42 -41.25 84.57 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.441 -0.787 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.0 64.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.29 -0.881 . . . . 0.0 109.993 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CD1' HG21 ' A' ' 137' ' ' ILE . 4.7 m-85 -60.73 -27.35 67.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.139 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -38.05 59.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.013 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.0 t -62.39 -46.06 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.302 -0.874 . . . . 0.0 110.062 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.414 ' CD1' HG22 ' A' ' 108' ' ' VAL . 13.4 m-85 -63.08 -34.1 76.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 95' ' ' ASN . 27.2 t0 -81.93 -10.03 59.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.354 -0.841 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.72 -76.01 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.33 -0.856 . . . . 0.0 110.452 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' ASP . 19.0 m120 -154.77 31.2 0.41 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.102 -0.999 . . . . 0.0 110.255 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -91.31 42.88 2.81 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.854 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.92 -75.09 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.462 -1.023 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' GLY . . . -173.22 52.88 0.16 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.1 mt -137.07 136.24 38.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.435 -1.038 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.9 pt -147.47 160.4 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.392 -0.818 . . . . 0.0 110.215 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.54 160.2 26.58 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.335 -0.853 . . . . 0.0 110.229 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.57 41.1 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.329 -0.857 . . . . 0.0 110.556 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.37 -55.0 36.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.306 -0.871 . . . . 0.0 110.118 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.58 -29.15 70.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.285 -0.884 . . . . 0.0 109.967 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tp -70.37 -39.02 74.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.367 -0.833 . . . . 0.0 110.098 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -69.72 -36.72 76.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.326 -0.859 . . . . 0.0 110.218 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -68.51 -35.47 77.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.217 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.414 HG22 ' CD1' ' A' ' 92' ' ' PHE . 90.1 t -69.66 -43.66 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.448 -0.782 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.48 -34.62 77.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.882 . . . . 0.0 110.054 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.7 m -79.99 -31.3 39.79 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.339 -0.851 . . . . 0.0 110.102 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.0 t -71.99 -42.55 66.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.344 -0.847 . . . . 0.0 110.158 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.46 -27.77 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.333 -0.855 . . . . 0.0 109.994 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.95 28.89 27.4 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.0 148.33 46.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.265 -1.138 . . . . 0.0 110.095 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.62 61.94 6.56 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.357 -0.839 . . . . 0.0 110.325 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.7 mt -115.08 120.47 39.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.313 -0.867 . . . . 0.0 110.107 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.6 p -79.28 -175.97 4.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.338 -0.851 . . . . 0.0 110.251 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -31.95 68.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.93 99.41 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.422 -0.799 . . . . 0.0 110.129 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.2 -51.54 67.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.424 -0.798 . . . . 0.0 110.18 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.32 -27.97 43.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.338 -0.851 . . . . 0.0 110.07 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.62 -45.53 61.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.35 -0.844 . . . . 0.0 110.115 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -71.33 -34.57 70.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.357 -0.839 . . . . 0.0 110.161 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.5 mtp -74.85 -26.27 59.57 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.374 -0.829 . . . . 0.0 110.194 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -76.28 -39.11 55.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.276 -0.89 . . . . 0.0 110.194 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -33.38 74.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.367 -0.833 . . . . 0.0 110.146 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -80.06 -27.27 39.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.855 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 51.7 t -98.74 -60.9 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.307 -0.871 . . . . 0.0 110.158 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -61.56 116.79 5.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.429 -0.794 . . . . 0.0 110.202 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -145.69 28.37 1.17 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.358 -0.839 . . . . 0.0 110.229 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -148.1 -107.78 0.48 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.0 t -171.85 -35.81 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.342 -1.093 . . . . 0.0 110.328 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -55.37 -96.08 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.15 160.16 41.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -1.135 . . . . 0.0 110.437 -179.791 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 67.4 mt -94.79 145.29 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.369 -0.832 . . . . 0.0 110.107 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -80.7 132.82 35.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.418 HG21 ' CD1' ' A' ' 89' ' ' PHE . 4.5 pt -69.45 -17.93 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.425 -0.797 . . . . 0.0 110.507 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 -53.33 59.49 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.27 -0.894 . . . . 0.0 110.228 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -62.55 -48.86 77.64 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.422 -0.799 . . . . 0.0 110.172 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -50.95 69.44 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.299 -0.876 . . . . 0.0 110.004 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.86 -28.74 69.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.388 -0.82 . . . . 0.0 110.157 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.65 62.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.403 -0.81 . . . . 0.0 110.062 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.4 mt -69.0 -33.58 73.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -0.831 . . . . 0.0 110.07 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.07 -52.81 11.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.341 -0.849 . . . . 0.0 110.125 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.7 t -73.47 -64.31 1.02 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 110.148 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.251 179.996 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.209 0.528 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -131.23 -165.13 1.52 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.396 -0.815 . . . . 0.0 110.244 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 58.0 166.13 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.487 -0.758 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.67 119.48 13.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.314 -0.866 . . . . 0.0 110.246 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p -66.21 174.09 2.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.322 -0.861 . . . . 0.0 109.959 179.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -62.1 -36.46 81.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.318 -0.864 . . . . 0.0 110.192 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -69.2 -38.32 78.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.358 -0.839 . . . . 0.0 110.054 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 3.8 mm-40 -67.97 -43.76 78.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.335 -0.853 . . . . 0.0 110.012 179.817 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.24 -39.88 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.41 -0.806 . . . . 0.0 109.925 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.74 -36.24 80.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.305 -0.872 . . . . 0.0 109.901 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.09 -53.49 57.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.348 -0.845 . . . . 0.0 109.775 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.2 m-85 -60.27 -30.55 69.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.395 -0.816 . . . . 0.0 109.502 179.408 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -61.29 -43.36 99.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.582 -0.699 . . . . 0.0 109.974 179.618 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.17 -43.68 86.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.421 -0.799 . . . . 0.0 110.328 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.67 -28.15 60.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.292 -0.88 . . . . 0.0 110.419 -179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -80.12 -36.24 35.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.194 -0.941 . . . . 0.0 110.228 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.77 -25.46 53.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.434 -0.792 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.21 -26.66 63.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.361 -0.837 . . . . 0.0 110.325 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CE2' HG22 ' A' ' 34' ' ' THR . 56.9 m-85 -108.5 26.31 10.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.283 -0.885 . . . . 0.0 110.355 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -127.11 -99.78 0.37 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 0.0 110.176 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt 51.41 57.67 6.35 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.947 -1.096 . . . . 0.0 110.604 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -126.48 -39.57 2.01 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.301 -0.874 . . . . 0.0 110.396 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -168.98 -63.59 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.9 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -114.91 -75.2 0.59 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.334 -0.854 . . . . 0.0 110.264 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.1 68.95 0.07 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.0 p -138.55 130.2 27.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.326 -1.102 . . . . 0.0 110.143 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -111.95 158.57 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.401 -0.812 . . . . 0.0 110.249 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -89.15 160.24 17.1 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 110.325 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -37.25 76.79 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.473 -0.767 . . . . 0.0 110.429 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.82 -25.61 56.3 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.315 -0.866 . . . . 0.0 110.387 -179.778 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -98.72 -16.17 19.08 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.424 -0.797 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.4 tp -57.16 -52.67 64.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.221 -0.924 . . . . 0.0 110.396 -179.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.34 81.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.343 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.415 HG22 ' CE2' ' A' ' 19' ' ' PHE . 31.2 m -66.54 -39.03 88.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 179.895 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.51 -39.85 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.32 -0.863 . . . . 0.0 109.871 179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.8 mtt -67.43 -33.66 75.62 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.315 -0.866 . . . . 0.0 109.667 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -69.09 -29.67 67.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.47 -0.769 . . . . 0.0 109.977 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -77.88 -35.35 50.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.818 . . . . 0.0 110.208 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.26 -29.27 68.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.355 -0.841 . . . . 0.0 110.114 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.83 -5.65 4.05 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -80.98 172.56 13.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -1.185 . . . . 0.0 110.229 -179.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.8 t -167.3 61.53 0.58 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.438 -0.789 . . . . 0.0 110.054 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.63 137.49 25.14 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.723 1.38 . . . . 0.0 110.416 -179.847 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 m -64.28 174.29 1.69 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.364 -0.835 . . . . 0.0 109.999 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.23 -30.75 66.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.279 -0.888 . . . . 0.0 110.164 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.69 81.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.478 -0.764 . . . . 0.0 109.942 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.18 -41.91 94.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.397 -0.815 . . . . 0.0 109.686 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.55 -43.85 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.399 -0.813 . . . . 0.0 109.645 179.559 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -54.88 -45.57 74.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.874 . . . . 0.0 110.034 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.68 -48.51 77.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.333 -0.854 . . . . 0.0 109.662 179.484 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -63.02 -53.1 59.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.421 -0.799 . . . . 0.0 109.885 179.542 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -61.95 -26.99 68.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.353 -0.842 . . . . 0.0 110.15 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -67.64 -37.72 82.86 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.357 -0.839 . . . . 0.0 109.966 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -78.76 -30.01 45.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.356 -0.84 . . . . 0.0 109.983 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.423 HG23 ' CD2' ' A' ' 61' ' ' HIS . 7.1 mt -90.34 -64.17 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 0.0 110.012 179.869 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -54.65 100.47 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.343 -0.848 . . . . 0.0 110.392 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.24 -36.43 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.446 -0.784 . . . . 0.0 110.329 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -147.85 -63.4 0.26 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.229 -0.919 . . . . 0.0 110.513 -179.831 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.13 -59.37 0.18 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -119.68 162.97 18.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.303 -1.116 . . . . 0.0 110.4 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.423 ' CD2' HG23 ' A' ' 55' ' ' ILE . 5.3 t60 -166.58 122.68 1.22 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.485 -0.76 . . . . 0.0 110.042 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -83.99 119.61 25.13 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.314 -0.866 . . . . 0.0 110.231 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.0 mt -90.82 141.51 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.417 -0.802 . . . . 0.0 110.148 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -100.2 160.05 14.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.431 -0.793 . . . . 0.0 110.09 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CZ ' ' HD3' ' A' ' 13' ' ' LYS . 23.9 t80 -58.33 -34.86 71.09 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.349 -0.844 . . . . 0.0 110.438 -179.83 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -62.38 -57.45 11.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.378 -0.826 . . . . 0.0 110.173 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.63 -31.34 72.17 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.423 -0.798 . . . . 0.0 110.08 179.842 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -65.66 -48.69 71.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.422 -0.799 . . . . 0.0 110.138 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.41 HD12 ' CE2' ' A' ' 65' ' ' PHE . 45.1 mt -59.44 -38.96 82.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.327 -0.858 . . . . 0.0 110.169 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.1 -46.9 82.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.35 -0.844 . . . . 0.0 109.988 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.34 -42.62 98.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.374 -0.829 . . . . 0.0 109.985 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.7 mmm -65.22 -38.61 90.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.456 -0.778 . . . . 0.0 110.073 179.818 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -63.02 -33.72 76.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.434 -0.792 . . . . 0.0 110.182 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -77.81 -31.42 51.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.319 -0.863 . . . . 0.0 110.06 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -86.25 -26.79 24.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.445 -0.784 . . . . 0.0 110.221 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mt -94.29 41.14 1.09 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -0.876 . . . . 0.0 110.239 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.0 89.0 0.12 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.131 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.0 p -99.96 28.29 4.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -80.31 -29.11 38.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.438 -0.789 . . . . 0.0 110.185 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -113.18 -28.11 7.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.428 -0.795 . . . . 0.0 110.221 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.4 m -59.26 -50.47 73.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.292 -0.88 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.95 -55.6 27.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.41 -0.806 . . . . 0.0 110.159 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.39 -27.06 63.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.34 -0.85 . . . . 0.0 110.34 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -67.56 -43.29 81.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.362 -0.836 . . . . 0.0 110.036 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -47.05 78.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.351 -0.843 . . . . 0.0 110.062 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.65 -35.16 80.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 110.052 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -71.38 -43.81 66.17 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.429 -0.795 . . . . 0.0 110.107 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.05 98.59 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.272 -0.892 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -66.96 -31.98 72.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.123 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -66.52 -39.78 88.8 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.413 -0.804 . . . . 0.0 110.155 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.86 -34.13 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.876 . . . . 0.0 110.08 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.417 ' CE2' HG22 ' A' ' 108' ' ' VAL . 7.5 m-85 -71.97 -30.31 65.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.339 -0.851 . . . . 0.0 110.182 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -93.91 164.3 13.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.458 -0.776 . . . . 0.0 110.236 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 96' ' ' GLY . 29.3 mmtt -97.16 169.51 9.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 110.227 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 55.74 -86.4 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.601 -0.687 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 155.91 50.37 0.01 OUTLIER Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.0 -53.66 3.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.343 -1.092 . . . . 0.0 110.235 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.27 38.68 1.0 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.4 mt -126.95 124.87 40.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.317 -1.107 . . . . 0.0 110.189 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.2 pt -145.49 160.13 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.352 -0.842 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.3 m -79.81 160.22 26.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.446 -0.783 . . . . 0.0 110.183 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.72 -27.54 28.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.293 -0.879 . . . . 0.0 110.489 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.09 -55.03 21.12 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.339 -0.851 . . . . 0.0 110.092 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -61.88 -33.12 73.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.36 -0.838 . . . . 0.0 110.082 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.413 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -67.39 -39.58 85.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.443 -0.786 . . . . 0.0 110.053 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -67.11 -39.89 86.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.458 -0.776 . . . . 0.0 110.195 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -67.75 -29.05 68.17 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.326 -0.859 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.417 HG22 ' CE2' ' A' ' 92' ' ' PHE . 77.2 t -78.92 -42.87 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.32 -0.862 . . . . 0.0 110.136 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -31.12 72.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.369 -0.832 . . . . 0.0 110.098 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.0 m -74.6 -43.08 57.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.319 -0.863 . . . . 0.0 110.205 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.1 t -61.95 -38.68 89.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.379 -0.826 . . . . 0.0 110.12 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.59 -26.56 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.305 -0.872 . . . . 0.0 110.094 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.57 33.44 55.98 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.98 179.75 0.26 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.417 -1.049 . . . . 0.0 110.082 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -110.02 62.41 0.6 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.417 -0.802 . . . . 0.0 110.222 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.406 ' CD1' ' CD2' ' A' ' 144' ' ' LEU . 76.6 mt -132.44 111.45 11.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.354 -0.841 . . . . 0.0 110.219 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.7 p -62.41 178.99 0.35 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.358 -0.839 . . . . 0.0 110.208 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.27 -37.88 88.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.315 -0.866 . . . . 0.0 110.187 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.75 -29.13 69.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 110.141 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.7 -50.0 34.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.32 -0.862 . . . . 0.0 110.124 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.5 t -62.21 -30.07 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.406 -0.809 . . . . 0.0 109.941 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.09 -45.41 73.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.321 -0.862 . . . . 0.0 110.049 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.35 -33.18 73.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.38 -0.825 . . . . 0.0 110.06 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.441 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 7.8 ttp -73.36 -28.85 62.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.441 -0.787 . . . . 0.0 110.066 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.05 -32.62 59.4 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.831 . . . . 0.0 110.07 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -68.07 -32.92 73.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.402 -0.811 . . . . 0.0 110.172 179.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -28.01 39.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.355 -0.84 . . . . 0.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.95 -25.79 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.7 t -61.67 88.18 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 110.337 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.54 -30.18 7.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.387 -0.821 . . . . 0.0 110.166 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.71 -95.84 0.54 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.8 m -159.79 -42.89 0.05 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.409 -1.053 . . . . 0.0 110.271 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.11 -45.19 0.04 OUTLIER Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -79.95 141.16 36.27 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.313 -1.11 . . . . 0.0 110.171 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 79.0 mt -130.08 159.88 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.361 -0.837 . . . . 0.0 110.145 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -88.16 128.15 35.44 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.442 -0.786 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 pt -67.97 -21.37 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.381 -0.825 . . . . 0.0 110.491 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -59.56 -53.68 55.26 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.291 -0.881 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -42.73 99.61 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.463 -0.773 . . . . 0.0 110.155 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.441 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -69.47 -33.7 73.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.39 -0.819 . . . . 0.0 110.077 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.86 -28.41 67.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.278 -0.889 . . . . 0.0 110.101 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.79 -35.33 38.71 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.389 -0.819 . . . . 0.0 110.125 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.36 -33.97 73.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.248 -0.908 . . . . 0.0 110.197 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.406 ' CD2' ' CD1' ' A' ' 116' ' ' LEU . 90.4 mt -79.65 -49.81 11.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.345 -0.847 . . . . 0.0 110.19 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.7 m -68.57 151.6 46.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 110.225 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.238 0.542 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -146.12 -177.8 5.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.38 -0.825 . . . . 0.0 110.201 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 t30 62.01 131.88 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.554 -0.716 . . . . 0.0 110.478 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.3 mt -63.39 124.62 21.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.29 -0.881 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 p -76.81 175.6 9.28 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.39 -0.818 . . . . 0.0 109.981 179.777 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.03 -33.76 73.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.282 -0.886 . . . . 0.0 110.131 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.73 -49.26 69.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.334 -0.853 . . . . 0.0 110.0 179.887 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.9 mt-30 -64.4 -43.51 94.19 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.378 -0.826 . . . . 0.0 110.081 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.71 -30.95 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.835 . . . . 0.0 109.889 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.56 86.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.379 -0.825 . . . . 0.0 110.029 179.871 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.56 -48.12 80.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.369 -0.832 . . . . 0.0 110.1 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.9 m-85 -60.95 -36.86 80.47 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.269 -0.894 . . . . 0.0 110.029 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 4.5 ttmm -60.57 -40.83 93.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.461 -0.774 . . . . 0.0 110.174 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.89 -52.3 63.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.422 -0.799 . . . . 0.0 110.042 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.64 84.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.344 -0.847 . . . . 0.0 110.159 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CZ ' HG12 ' A' ' 27' ' ' ILE . 6.1 t80 -67.59 -46.2 73.29 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.364 -0.835 . . . . 0.0 110.116 179.934 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -29.77 70.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.336 -0.853 . . . . 0.0 110.138 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.38 -37.13 84.56 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.441 -0.787 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -103.69 26.04 9.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.308 -0.87 . . . . 0.0 110.21 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.82 138.69 44.46 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.395 -0.816 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' CD ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -152.58 42.45 0.64 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 110.813 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.78 -76.38 0.61 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.324 -0.86 . . . . 0.0 110.186 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -168.75 -74.81 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.269 -0.894 . . . . 0.0 110.198 179.935 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.21 -61.95 2.11 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.391 -0.818 . . . . 0.0 110.218 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.64 82.15 0.05 OUTLIER Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 p -138.18 134.69 34.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -1.093 . . . . 0.0 110.294 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.422 HG12 ' CZ ' ' A' ' 16' ' ' PHE . 42.6 pt -120.15 159.88 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.424 -0.797 . . . . 0.0 110.177 179.891 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -82.64 155.79 24.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.331 -0.856 . . . . 0.0 110.171 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.02 -28.39 69.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.386 -0.821 . . . . 0.0 110.156 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.7 m -60.7 -34.42 74.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.326 -0.859 . . . . 0.0 110.157 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -91.45 -11.28 38.05 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.437 -0.79 . . . . 0.0 110.46 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.1 -48.86 77.59 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.156 -0.965 . . . . 0.0 110.367 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.68 88.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.311 -0.868 . . . . 0.0 110.118 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.8 m -66.51 -40.65 89.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.934 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.53 -40.02 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.294 -0.879 . . . . 0.0 109.712 179.606 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.2 mtt -71.09 -29.51 65.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.43 -0.794 . . . . 0.0 109.509 179.383 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -37.61 87.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.468 -0.77 . . . . 0.0 109.766 179.646 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -33.06 39.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.406 -0.809 . . . . 0.0 110.175 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.6 -23.39 67.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.343 -0.848 . . . . 0.0 110.306 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.37 31.14 1.73 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -122.4 177.24 5.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.317 -1.107 . . . . 0.0 110.075 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.1 p -167.92 66.28 0.75 Allowed Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.36 137.84 26.36 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.761 1.4 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.72 175.71 0.61 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.363 -0.836 . . . . 0.0 110.186 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -33.65 74.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.422 -0.799 . . . . 0.0 110.168 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.6 95.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.316 -0.865 . . . . 0.0 110.091 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.33 -39.66 92.7 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.41 -0.806 . . . . 0.0 110.035 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.18 -40.78 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.497 -0.752 . . . . 0.0 109.975 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -36.78 84.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 110.027 179.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -63.45 -48.08 79.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.347 -0.846 . . . . 0.0 110.088 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.05 -39.37 94.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.374 -0.829 . . . . 0.0 110.08 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.6 mtt -68.05 -29.58 68.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.349 -0.844 . . . . 0.0 110.076 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -68.12 -43.4 78.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.38 -0.825 . . . . 0.0 110.048 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.28 -28.06 64.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.84 . . . . 0.0 110.058 179.875 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.459 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 2.6 mt -88.14 -53.28 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.366 -0.834 . . . . 0.0 110.039 179.908 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -52.79 110.32 0.51 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.176 -0.952 . . . . 0.0 110.663 -179.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.527 ' CG2' ' HB2' ' A' ' 61' ' ' HIS . 9.3 m -113.88 -33.29 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.446 -0.784 . . . . 0.0 110.175 179.731 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.1 15.98 3.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.381 -0.825 . . . . 0.0 109.969 179.718 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.5 11.17 59.77 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -171.32 41.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.005 -1.291 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.527 ' HB2' ' CG2' ' A' ' 57' ' ' VAL . 3.8 t-160 -71.23 115.98 11.01 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.07 -1.019 . . . . 0.0 109.624 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -79.41 125.28 29.33 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.292 -0.88 . . . . 0.0 109.807 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.427 HD13 HG22 ' A' ' 63' ' ' ILE . 79.4 mt -79.96 125.72 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 0.0 110.394 -179.663 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 160.21 16.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.48 -0.762 . . . . 0.0 109.969 179.788 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 21.1 t80 -56.27 -36.24 68.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.311 -0.868 . . . . 0.0 110.34 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -54.92 25.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.891 . . . . 0.0 110.066 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.87 -35.16 79.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.412 -0.805 . . . . 0.0 110.095 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.13 -48.2 81.19 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.396 -0.815 . . . . 0.0 110.093 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD12 ' CE2' ' A' ' 65' ' ' PHE . 48.1 mt -58.89 -39.92 82.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.305 -0.872 . . . . 0.0 110.151 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.96 -48.88 69.84 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.267 -0.896 . . . . 0.0 110.052 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.2 -37.21 86.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.319 -0.863 . . . . 0.0 109.918 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.8 mmm -64.93 -42.96 94.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.422 -0.799 . . . . 0.0 110.047 179.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.8 t -59.41 -41.31 89.19 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.302 -0.874 . . . . 0.0 110.267 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -61.53 -40.43 94.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.801 . . . . 0.0 110.156 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -26.42 30.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.387 -0.82 . . . . 0.0 110.335 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -7.26 58.11 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.248 -0.908 . . . . 0.0 110.744 -179.824 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -59.12 -85.27 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.128 -0.983 . . . . 0.0 110.173 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 t 49.93 26.61 2.05 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.202 -0.936 . . . . 0.0 110.666 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -117.14 -173.4 2.4 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.306 -0.871 . . . . 0.0 110.349 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.7 136.36 53.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.457 -0.777 . . . . 0.0 110.203 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.8 p -63.04 -19.98 64.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.38 -0.825 . . . . 0.0 110.388 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -57.62 -57.64 11.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.226 -0.921 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.11 -35.68 73.85 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.358 -0.839 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.56 -37.45 86.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.389 -0.82 . . . . 0.0 110.13 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 89' ' ' PHE . 3.2 mt -65.99 -46.65 77.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.347 -0.846 . . . . 0.0 110.149 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.37 -30.6 70.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.363 -0.836 . . . . 0.0 110.149 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.42 -49.81 38.12 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.463 -0.773 . . . . 0.0 109.912 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.86 97.26 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.363 -0.836 . . . . 0.0 110.106 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' CE2' HD22 ' A' ' 85' ' ' LEU . 7.1 m-85 -61.26 -43.1 99.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.314 -0.866 . . . . 0.0 110.091 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -61.47 -37.45 83.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.374 -0.829 . . . . 0.0 110.124 179.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.86 -37.37 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.367 -0.833 . . . . 0.0 110.051 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.423 ' CE2' HG23 ' A' ' 108' ' ' VAL . 7.4 m-85 -73.72 -32.4 63.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.464 -0.773 . . . . 0.0 110.223 179.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -90.6 100.44 13.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.417 -0.802 . . . . 0.0 110.261 -179.939 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -60.53 -59.18 5.8 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 110.042 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -146.51 42.59 1.17 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.344 -0.848 . . . . 0.0 110.197 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.55 31.11 7.82 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 p30 36.86 34.84 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.731 -0.864 . . . . 0.0 111.377 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.59 40.63 5.94 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.0 mt -137.07 114.12 10.64 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.293 -1.122 . . . . 0.0 110.268 179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 pt -124.7 160.28 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.417 -0.802 . . . . 0.0 110.153 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.7 t -79.63 160.05 26.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 0.0 110.199 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.8 -32.69 65.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.35 -0.844 . . . . 0.0 110.383 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.2 -54.28 40.06 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.31 -0.869 . . . . 0.0 110.107 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.6 -36.71 81.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.369 -0.832 . . . . 0.0 110.094 179.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.416 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -65.02 -39.43 93.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.097 179.85 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -66.07 -42.86 88.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 110.131 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -63.95 -29.29 70.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.203 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.423 HG23 ' CE2' ' A' ' 92' ' ' PHE . 70.0 t -74.22 -45.65 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.424 -0.798 . . . . 0.0 110.014 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -31.44 70.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.271 -0.893 . . . . 0.0 110.215 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.4 m -80.08 -33.82 38.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.362 -0.837 . . . . 0.0 110.144 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.1 t -71.22 -40.06 71.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.349 -0.845 . . . . 0.0 110.207 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.15 -26.28 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.443 -0.785 . . . . 0.0 110.082 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.88 28.6 41.44 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.95 -179.11 0.67 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.404 -1.056 . . . . 0.0 110.081 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -107.04 40.98 1.55 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.364 -0.835 . . . . 0.0 110.197 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 77.3 mt -119.04 104.79 10.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.374 -0.829 . . . . 0.0 110.162 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.4 p -67.21 179.15 1.26 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.39 -0.819 . . . . 0.0 110.184 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.01 -36.55 83.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.4 -0.812 . . . . 0.0 110.214 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.51 96.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.399 -0.813 . . . . 0.0 110.136 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.48 -50.54 72.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.322 -0.862 . . . . 0.0 110.143 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.54 -29.45 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.335 -0.853 . . . . 0.0 110.011 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -43.08 95.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.361 -0.837 . . . . 0.0 109.918 179.765 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.67 -34.17 76.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.377 -0.827 . . . . 0.0 109.974 179.817 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.2 ttm -79.64 -31.33 41.52 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 110.043 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.0 mt -64.27 -42.6 96.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.475 -0.766 . . . . 0.0 110.206 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -62.97 -37.61 87.78 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.409 -0.807 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -80.11 -28.21 39.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.837 . . . . 0.0 110.223 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 71.6 t -92.22 -64.84 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.374 -0.829 . . . . 0.0 110.098 -179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.8 t -65.07 -43.16 93.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.36 -0.838 . . . . 0.0 110.229 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.6 t0 52.85 36.78 22.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.341 -0.849 . . . . 0.0 110.411 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.2 96.72 0.03 OUTLIER Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -166.46 -56.3 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.432 -1.04 . . . . 0.0 110.241 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 130.43 -72.88 0.47 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -81.45 135.39 35.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.294 -1.121 . . . . 0.0 110.072 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 55.5 mt -123.51 145.4 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.345 -0.847 . . . . 0.0 110.244 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.93 121.51 28.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.409 -0.807 . . . . 0.0 110.194 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 22.1 pt -61.24 -21.19 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.386 -0.821 . . . . 0.0 110.488 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -59.48 -48.22 82.5 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.228 -0.92 . . . . 0.0 110.271 -179.902 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.6 -44.18 78.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.388 -0.82 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.416 ' CZ ' HD23 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.85 -48.19 81.65 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.356 -0.84 . . . . 0.0 110.08 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.02 -28.67 69.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.317 -0.864 . . . . 0.0 110.214 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.17 -36.16 58.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 110.127 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.5 mt -68.72 -29.97 68.51 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.319 -0.863 . . . . 0.0 110.103 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 88.4 mt -79.76 -29.55 40.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.406 -0.809 . . . . 0.0 110.165 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.1 m -82.42 138.01 34.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.365 -0.834 . . . . 0.0 110.188 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.383 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.101 0.476 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -58.06 -41.55 83.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.32 -0.862 . . . . 0.0 110.282 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.92 -46.05 89.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.865 . . . . 0.0 109.988 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.424 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.1 mm100 -67.6 -45.18 76.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.5 -0.75 . . . . 0.0 109.971 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.99 -28.63 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.44 -0.788 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.36 -40.77 77.29 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.851 . . . . 0.0 110.124 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -65.23 -46.82 79.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.332 -0.855 . . . . 0.0 110.187 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 19.5 m-85 -62.4 -36.73 83.24 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.363 -0.835 . . . . 0.0 110.054 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -62.05 -40.3 95.29 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.439 -0.788 . . . . 0.0 110.178 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.05 -46.89 79.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.463 -0.773 . . . . 0.0 110.269 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -71.03 -34.92 71.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.358 -0.839 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -70.12 -44.32 69.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.134 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.96 -27.32 66.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 110.196 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 18' ' ' LEU . 11.7 mt -61.09 -46.48 90.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.365 -0.834 . . . . 0.0 110.298 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CD1' HG22 ' A' ' 35' ' ' VAL . 50.0 m-85 -83.68 -27.72 28.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.4 -0.813 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.277 -0.889 . . . . 0.0 109.925 179.845 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.4 m -141.94 141.92 32.98 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.394 -1.062 . . . . 0.0 110.195 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.2 pt -126.84 154.92 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 110.231 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -79.99 160.1 26.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.402 -0.811 . . . . 0.0 110.216 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -63.05 -28.87 70.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.348 -0.845 . . . . 0.0 110.176 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.3 m -60.74 -28.58 68.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.0 110.222 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.786 ' O ' HG23 ' A' ' 35' ' ' VAL . 35.7 mt-10 -96.59 -15.12 21.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.381 -0.824 . . . . 0.0 110.421 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.64 HD22 ' CD1' ' A' ' 63' ' ' ILE . 61.4 tp -57.4 -51.52 69.07 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.284 -0.885 . . . . 0.0 110.226 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.1 -39.73 79.35 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.325 -0.859 . . . . 0.0 110.243 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 m -68.78 -40.34 79.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.376 -0.827 . . . . 0.0 110.087 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 31' ' ' GLU . 84.4 t -61.59 -32.9 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 109.887 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.9 mtt -73.18 -36.58 66.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.37 -0.831 . . . . 0.0 109.875 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -66.7 -32.83 74.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.467 -0.771 . . . . 0.0 110.198 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.86 -28.9 39.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.336 -0.853 . . . . 0.0 110.16 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.35 -25.66 61.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.356 -0.84 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.87 36.15 0.64 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 mt -123.55 177.84 5.47 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.28 -1.129 . . . . 0.0 110.109 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 p -168.66 64.03 0.58 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.387 -0.821 . . . . 0.0 110.184 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.25 137.42 25.95 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 O-C-N 123.696 1.367 . . . . 0.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.54 168.04 5.05 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.421 -0.799 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.23 -25.96 59.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.255 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -40.1 68.32 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.427 -0.796 . . . . 0.0 109.995 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -69.55 -37.57 77.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.377 -0.827 . . . . 0.0 109.966 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.0 -38.16 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.351 -0.843 . . . . 0.0 109.877 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.96 -43.57 87.51 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.384 -0.823 . . . . 0.0 109.957 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -62.8 -44.59 95.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.351 -0.843 . . . . 0.0 109.982 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.55 -43.99 83.6 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 110.052 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.8 mtt -65.68 -29.02 69.51 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.31 -0.869 . . . . 0.0 109.964 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -66.99 -45.07 78.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.415 -0.803 . . . . 0.0 109.897 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.08 -36.89 85.51 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.388 -0.82 . . . . 0.0 109.879 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.0 mt -77.71 -57.59 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.445 -0.784 . . . . 0.0 109.799 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.41 -0.806 . . . . 0.0 110.185 -179.924 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.129 0.49 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.64 ' CD1' HD22 ' A' ' 32' ' ' LEU . 76.5 mt -79.94 124.4 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.315 -0.866 . . . . 0.0 110.31 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.74 160.17 15.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.433 -0.792 . . . . 0.0 109.949 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.669 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.5 t80 -55.07 -25.55 31.8 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.288 -0.883 . . . . 0.0 110.422 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.2 p -73.75 -52.89 11.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.283 -0.886 . . . . 0.0 110.023 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -66.42 -31.47 72.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.43 -0.794 . . . . 0.0 110.035 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -68.12 -47.18 68.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.359 -0.838 . . . . 0.0 110.083 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.669 HD11 ' CE2' ' A' ' 65' ' ' PHE . 56.7 mt -60.53 -37.19 80.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.272 -0.892 . . . . 0.0 110.053 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.41 75.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.406 -0.809 . . . . 0.0 110.074 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.08 -36.34 83.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.349 -0.844 . . . . 0.0 109.987 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.0 mmm -69.69 -37.68 76.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.319 -0.863 . . . . 0.0 109.901 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.397 -0.815 . . . . 0.0 110.076 179.789 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.178 0.514 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -34.9 68.87 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.384 -0.822 . . . . 0.0 110.235 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -62.28 -39.92 94.53 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 110.121 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.412 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -66.99 -44.44 80.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.364 -0.835 . . . . 0.0 110.052 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.54 -33.08 74.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.443 -0.785 . . . . 0.0 110.159 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.37 -46.01 74.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.424 -0.797 . . . . 0.0 110.121 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.89 83.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.447 -0.783 . . . . 0.0 110.179 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.743 ' HB3' HD13 ' A' ' 137' ' ' ILE . 15.9 m-85 -61.55 -28.93 69.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.433 -0.792 . . . . 0.0 110.165 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -42.06 75.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.355 -0.841 . . . . 0.0 110.047 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.39 -43.99 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.393 -0.817 . . . . 0.0 109.956 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -66.06 -28.81 69.12 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.384 -0.822 . . . . 0.0 110.146 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -86.04 97.75 10.46 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.324 -0.86 . . . . 0.0 110.153 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -70.21 -26.69 63.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.457 -0.777 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -59.73 -64.96 0.76 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.813 . . . . 0.0 110.226 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.1 -29.67 2.61 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.9 -52.21 15.6 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.356 -1.085 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.0 47.02 0.1 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.417 ' C ' HG23 ' A' ' 100' ' ' ILE . 51.7 mt -116.21 131.75 56.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.373 -1.075 . . . . 0.0 110.129 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.417 HG23 ' C ' ' A' ' 99' ' ' LEU . 42.0 pt -146.2 160.26 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 0.0 110.226 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.7 m -79.8 160.18 26.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.363 -0.836 . . . . 0.0 110.029 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.47 49.65 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.287 -0.883 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.29 -51.64 62.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.368 -0.832 . . . . 0.0 109.985 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.779 ' O ' HG23 ' A' ' 108' ' ' VAL . 38.7 mt-10 -63.89 -31.02 72.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.854 . . . . 0.0 110.008 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.828 HD21 ' CE2' ' A' ' 140' ' ' PHE . 24.9 tp -68.48 -40.75 80.86 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.829 . . . . 0.0 110.032 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -67.23 -39.34 86.23 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 0.0 110.069 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -66.4 -40.36 89.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.409 -0.807 . . . . 0.0 110.228 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 104' ' ' GLU . 90.3 t -64.59 -39.33 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.412 -0.805 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.96 -33.26 75.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.284 -0.885 . . . . 0.0 110.108 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 m -76.9 -40.96 45.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.394 -0.816 . . . . 0.0 110.194 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.0 m -61.81 -44.23 97.27 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.388 -0.82 . . . . 0.0 110.072 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.412 HD13 ' CD2' ' A' ' 85' ' ' LEU . 82.1 mt -60.8 -26.64 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.356 -0.84 . . . . 0.0 110.108 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.57 28.17 25.14 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 134.58 47.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.408 -1.054 . . . . 0.0 110.069 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.4 tpmp? -77.11 63.97 2.47 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.34 -0.85 . . . . 0.0 110.202 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.81 100.86 5.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.388 -0.82 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.0 p -63.05 -167.25 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.389 -0.819 . . . . 0.0 110.169 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.68 -31.58 65.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.851 . . . . 0.0 110.142 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.98 97.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.367 -0.833 . . . . 0.0 110.01 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -62.56 -53.22 57.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 110.075 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.439 HG12 HD12 ' A' ' 125' ' ' LEU . 61.3 t -59.18 -28.68 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.849 . . . . 0.0 110.003 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.09 -48.5 65.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.382 -0.824 . . . . 0.0 109.994 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.62 -33.58 75.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.628 ' HG2' HD13 ' A' ' 143' ' ' LEU . 5.5 ttp -76.42 -31.23 57.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 109.976 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.439 HD12 HG12 ' A' ' 121' ' ' VAL . 7.4 mt -69.83 -33.59 72.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.406 -0.809 . . . . 0.0 110.078 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -65.23 -39.7 93.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.84 . . . . 0.0 110.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.08 -27.3 39.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.322 -0.861 . . . . 0.0 110.383 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.644 HG11 ' HD1' ' A' ' 140' ' ' PHE . 59.5 t -91.07 -57.65 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.247 -0.908 . . . . 0.0 110.212 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.5 m -56.9 130.64 46.74 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.381 -0.824 . . . . 0.0 110.323 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.0 -32.49 7.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.846 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 136.07 54.15 0.06 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.8 t -132.2 -67.92 0.64 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.325 -1.103 . . . . 0.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.68 -49.49 0.47 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.616 -1.393 . . . . 0.0 109.616 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -99.28 129.94 45.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.307 -1.114 . . . . 0.0 110.213 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 84.6 mt -100.55 154.43 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.45 135.38 33.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.341 -0.85 . . . . 0.0 110.2 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 89' ' ' PHE . 1.7 pt -73.87 -17.96 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.371 -0.831 . . . . 0.0 110.477 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.94 -54.12 49.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.908 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -68.66 -42.01 78.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.38 -0.825 . . . . 0.0 110.205 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.828 ' CE2' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.63 -40.98 93.12 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.37 -0.831 . . . . 0.0 110.056 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.45 87.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.186 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.65 -39.66 76.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.37 -0.831 . . . . 0.0 110.198 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.628 HD13 ' HG2' ' A' ' 124' ' ' MET . 3.2 mt -60.54 -34.69 74.5 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.343 -0.848 . . . . 0.0 110.234 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.71 -33.34 41.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.334 -0.854 . . . . 0.0 110.335 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.395 -0.815 . . . . 0.0 110.397 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.083 0.468 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.09 -35.45 78.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.347 -0.845 . . . . 0.0 110.138 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.87 -39.95 79.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.449 -0.782 . . . . 0.0 110.016 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 18.2 mm-40 -69.41 -43.46 73.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.31 -32.4 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.326 -0.859 . . . . 0.0 110.092 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.48 70.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.391 -0.818 . . . . 0.0 110.095 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -68.52 -48.53 64.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.388 -0.82 . . . . 0.0 110.127 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.457 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 25.8 m-85 -61.27 -38.54 87.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 110.069 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 9.2 ttmt -61.8 -41.7 98.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.421 -0.799 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.9 -49.26 78.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.337 -0.852 . . . . 0.0 110.319 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.58 -27.2 63.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.403 -0.811 . . . . 0.0 110.259 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.9 t80 -76.16 -41.88 48.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.268 -0.895 . . . . 0.0 110.122 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.07 -28.09 65.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.327 -0.858 . . . . 0.0 110.129 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.43 -31.54 72.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.349 -0.844 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -107.4 28.29 8.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.416 -0.803 . . . . 0.0 110.245 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.2 t70 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.348 -0.845 . . . . 0.0 110.165 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -154.64 144.81 21.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.402 -1.058 . . . . 0.0 110.146 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.6 pt -125.84 159.98 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 0.0 110.239 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.4 m -84.72 160.07 20.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.44 -0.788 . . . . 0.0 110.248 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -38.05 82.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.434 -0.791 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.99 -28.04 62.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.414 -0.804 . . . . 0.0 110.278 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.812 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.2 mt-10 -90.71 -19.17 23.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.323 -0.861 . . . . 0.0 110.266 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD22 HD13 ' A' ' 55' ' ' ILE . 59.7 tp -54.68 -51.16 66.38 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -0.872 . . . . 0.0 110.454 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.28 -41.46 88.95 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.337 -0.852 . . . . 0.0 110.22 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.3 m -66.93 -38.29 85.91 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.353 -0.842 . . . . 0.0 110.055 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.1 t -62.39 -38.59 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.411 -0.805 . . . . 0.0 109.927 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.0 mtt -68.21 -34.56 76.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.406 -0.809 . . . . 0.0 109.861 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -66.61 -35.02 79.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.39 -0.819 . . . . 0.0 110.183 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.26 -34.62 48.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.837 . . . . 0.0 110.185 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.19 -24.29 67.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.307 -0.87 . . . . 0.0 110.221 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.98 32.0 1.63 Allowed Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.8 mt -121.01 -178.59 3.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.368 -1.077 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -168.89 68.66 0.7 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.284 -0.885 . . . . 0.0 110.182 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.63 137.52 27.7 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.756 1.398 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.83 165.79 4.99 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.33 -0.856 . . . . 0.0 110.11 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -56.25 -28.27 57.93 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.04 -41.46 74.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 0.0 110.012 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -35.17 77.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.36 -0.837 . . . . 0.0 110.093 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.6 -41.4 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.373 -0.829 . . . . 0.0 110.016 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -61.76 -40.07 93.85 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.351 -0.843 . . . . 0.0 110.054 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -62.78 -49.07 76.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.297 -0.877 . . . . 0.0 110.094 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.39 -38.98 93.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.357 -0.84 . . . . 0.0 110.044 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.5 mtt -69.15 -29.35 67.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.434 -0.791 . . . . 0.0 109.999 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -68.05 -42.16 80.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.429 -0.794 . . . . 0.0 110.084 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -70.27 -32.17 69.86 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.413 -0.804 . . . . 0.0 110.052 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.448 HD13 HD22 ' A' ' 32' ' ' LEU . 19.7 mt -86.32 -59.05 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.396 -0.815 . . . . 0.0 109.964 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t0 . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.315 -0.865 . . . . 0.0 110.178 -179.906 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.185 0.516 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.403 HD11 HD13 ' A' ' 55' ' ' ILE . 78.6 mt -85.18 135.82 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.375 -0.828 . . . . 0.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -96.25 160.2 14.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.36 -0.837 . . . . 0.0 110.011 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.828 ' CE2' HD11 ' A' ' 69' ' ' LEU . 15.8 t80 -57.72 -36.65 72.3 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.895 . . . . 0.0 110.279 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -62.78 -53.06 60.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.346 -0.846 . . . . 0.0 110.097 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.53 -29.81 70.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.413 -0.804 . . . . 0.0 110.046 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -69.22 -49.51 55.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.406 -0.809 . . . . 0.0 110.086 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.828 HD11 ' CE2' ' A' ' 65' ' ' PHE . 44.9 mt -60.26 -32.2 70.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.282 -0.886 . . . . 0.0 110.057 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.14 -49.75 47.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.402 -0.811 . . . . 0.0 110.055 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.57 -36.74 79.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.324 -0.86 . . . . 0.0 110.104 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.457 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 92.5 mmm -69.05 -42.16 76.68 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.452 -0.78 . . . . 0.0 109.927 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.376 -0.828 . . . . 0.0 109.935 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.115 0.483 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.07 -33.41 64.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.384 -0.822 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -44.53 95.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.402 -0.811 . . . . 0.0 110.019 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -46.96 83.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 110.142 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.15 -33.71 72.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.452 -0.78 . . . . 0.0 110.234 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -68.66 -49.06 62.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.36 -0.838 . . . . 0.0 110.105 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.69 -40.93 98.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.339 -0.851 . . . . 0.0 110.211 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.533 ' HB3' HD13 ' A' ' 137' ' ' ILE . 8.0 m-85 -63.97 -32.86 74.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.358 -0.839 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -67.71 -44.22 78.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.307 -0.87 . . . . 0.0 110.265 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.2 t -60.97 -40.74 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.272 -0.892 . . . . 0.0 110.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.406 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.1 m-85 -67.56 -27.34 66.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.294 -0.879 . . . . 0.0 110.159 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.46 142.86 42.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.399 -0.813 . . . . 0.0 110.239 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -108.88 41.17 1.65 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.32 -0.862 . . . . 0.0 110.259 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -158.3 -43.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.825 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.3 29.19 6.45 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.601 ' OD2' HD12 ' A' ' 99' ' ' LEU . 48.7 p-10 -113.61 -17.15 12.23 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.344 -1.091 . . . . 0.0 110.518 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.77 47.94 2.83 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.601 HD12 ' OD2' ' A' ' 97' ' ' ASP . 85.7 mt -139.02 110.54 7.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.388 -1.066 . . . . 0.0 110.13 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.9 pt -125.97 160.36 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.377 -0.827 . . . . 0.0 110.199 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -79.8 160.21 26.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.164 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.34 -36.13 60.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.34 -0.85 . . . . 0.0 110.401 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.88 77.73 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.284 -0.885 . . . . 0.0 110.105 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.9 mt-10 -62.71 -35.29 79.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.359 -0.838 . . . . 0.0 109.951 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.544 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -62.25 -39.87 94.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.462 -0.774 . . . . 0.0 110.037 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -70.96 -35.83 72.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.349 -0.844 . . . . 0.0 110.161 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.44 -29.09 65.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.385 -0.822 . . . . 0.0 110.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 104' ' ' GLU . 60.0 t -76.38 -41.82 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.296 -0.877 . . . . 0.0 109.95 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 105' ' ' LEU . 5.3 mt -63.74 -36.71 84.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.326 -0.859 . . . . 0.0 110.15 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.4 m -77.66 -28.8 51.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.373 -0.829 . . . . 0.0 110.192 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -74.39 -42.18 59.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.351 -0.843 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.495 HD11 HG12 ' A' ' 108' ' ' VAL . 61.5 mt -62.39 -27.0 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.398 -0.814 . . . . 0.0 110.158 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.29 33.07 23.94 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.33 164.86 25.98 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.364 -1.08 . . . . 0.0 110.16 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.09 62.26 1.27 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.386 -0.821 . . . . 0.0 110.2 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.443 HD11 HD22 ' A' ' 144' ' ' LEU . 33.9 mt -125.57 112.26 15.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.851 . . . . 0.0 110.197 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 78.1 p -62.98 -174.17 0.07 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.378 -0.827 . . . . 0.0 110.164 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -77.74 -30.28 51.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.318 -0.864 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.41 96.42 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.419 -0.801 . . . . 0.0 110.2 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -61.41 -49.36 77.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.348 -0.845 . . . . 0.0 110.218 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.527 HG12 HD12 ' A' ' 125' ' ' LEU . 79.3 t -62.13 -27.93 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.339 -0.851 . . . . 0.0 110.069 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.84 -43.41 83.75 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.356 -0.84 . . . . 0.0 110.013 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -32.52 72.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.422 -0.799 . . . . 0.0 110.082 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.493 ' O ' HG23 ' A' ' 128' ' ' VAL . 11.2 mtm -79.07 -26.68 43.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.342 -0.849 . . . . 0.0 110.26 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.527 HD12 HG12 ' A' ' 121' ' ' VAL . 3.6 mt -71.61 -44.88 63.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.279 -0.888 . . . . 0.0 110.198 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -65.22 -31.1 72.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.346 -0.846 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.86 -28.67 39.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 0.0 110.367 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.773 HG12 HG23 ' A' ' 135' ' ' ILE . 59.9 t -96.18 -54.71 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.336 -0.852 . . . . 0.0 110.194 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.0 t -63.47 140.16 58.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.295 -0.878 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -115.07 36.47 3.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.352 -0.842 . . . . 0.0 110.195 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.47 36.91 78.19 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.9 m -118.4 -35.57 3.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -1.055 . . . . 0.0 110.188 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.06 -38.01 3.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -94.73 135.85 35.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.413 -1.051 . . . . 0.0 110.213 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.773 HG23 HG12 ' A' ' 128' ' ' VAL . 87.3 mt -123.35 144.1 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.391 -0.818 . . . . 0.0 110.149 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -82.98 126.01 32.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.373 -0.83 . . . . 0.0 110.165 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.533 HD13 ' HB3' ' A' ' 89' ' ' PHE . 18.1 pt -63.95 -21.77 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.385 -0.822 . . . . 0.0 110.354 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -61.98 -46.7 88.12 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.308 -0.87 . . . . 0.0 110.19 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -61.82 -52.39 64.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.389 -0.819 . . . . 0.0 110.203 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.544 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.61 -39.75 94.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.355 -0.84 . . . . 0.0 110.055 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.8 -33.86 76.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.42 -0.8 . . . . 0.0 110.185 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.69 62.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.384 -0.822 . . . . 0.0 110.214 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.34 -36.44 76.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.338 -0.851 . . . . 0.0 110.145 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.443 HD22 HD11 ' A' ' 116' ' ' LEU . 84.3 mt -78.24 -28.05 47.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.198 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.187 -179.913 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.227 0.536 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.54 -32.76 72.84 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.326 -0.859 . . . . 0.0 110.242 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -64.66 -52.11 59.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 110.092 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 56.3 mt-30 -62.8 -42.08 99.56 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.32 -0.862 . . . . 0.0 110.13 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -66.88 -36.28 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.317 -0.864 . . . . 0.0 109.991 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.22 82.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.351 -0.843 . . . . 0.0 110.091 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -47.87 66.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.397 -0.814 . . . . 0.0 110.158 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 24.5 m-85 -62.74 -38.28 89.9 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.286 -0.884 . . . . 0.0 110.003 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 2.1 ttmt -61.68 -39.63 92.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.379 -0.825 . . . . 0.0 110.149 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.98 -52.25 60.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.286 -0.884 . . . . 0.0 110.151 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.568 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.89 -35.38 79.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 0.0 110.142 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.659 ' CE1' HG23 ' A' ' 27' ' ' ILE . 9.7 t80 -71.3 -39.54 71.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.797 . . . . 0.0 110.091 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.65 -29.38 69.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 110.118 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 15' ' ' ALA . 20.3 mt -62.15 -38.0 87.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.464 -0.773 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -101.72 24.39 9.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 0.0 110.343 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.1 t70 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 110.11 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.5 p -139.16 154.63 48.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -1.061 . . . . 0.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.659 HG23 ' CE1' ' A' ' 16' ' ' PHE . 40.8 pt -120.42 158.5 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.368 -0.833 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -80.76 158.96 25.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.383 -0.823 . . . . 0.0 110.269 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.39 -39.55 93.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.356 -0.84 . . . . 0.0 110.217 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.6 p -55.32 -27.2 45.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.364 -0.835 . . . . 0.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.849 ' O ' HG23 ' A' ' 35' ' ' VAL . 45.0 mt-10 -91.4 -15.65 28.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 110.44 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.3 tp -55.15 -55.9 25.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.224 -0.922 . . . . 0.0 110.492 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.84 76.38 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.353 -0.842 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 m -66.87 -40.6 87.88 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.432 -0.792 . . . . 0.0 109.917 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.2 t -58.33 -41.14 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.272 -0.892 . . . . 0.0 109.587 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mtt -69.78 -28.02 65.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.407 -0.808 . . . . 0.0 109.518 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 38' ' ' SER . 0.3 OUTLIER -65.96 -38.51 88.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.451 -0.781 . . . . 0.0 109.905 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 37' ' ' ARG . 15.3 m -80.15 -32.53 38.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.379 -0.825 . . . . 0.0 110.333 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.45 -26.07 68.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.413 -0.804 . . . . 0.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.06 32.65 2.16 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 mt -116.11 176.23 5.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -1.084 . . . . 0.0 110.177 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -166.34 68.79 1.09 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.406 -0.809 . . . . 0.0 110.078 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.64 137.41 27.48 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 O-C-N 123.77 1.405 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.2 m -62.09 171.06 1.9 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.401 -0.812 . . . . 0.0 110.082 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.0 -28.56 67.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.882 . . . . 0.0 110.133 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.51 -41.52 72.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 0.0 110.028 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.49 -38.62 87.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.457 -0.777 . . . . 0.0 110.142 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 44' ' ' SER . 60.7 t -66.33 -40.18 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.338 -0.851 . . . . 0.0 109.926 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -62.65 -38.32 89.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.4 -0.813 . . . . 0.0 110.144 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -63.28 -47.78 80.91 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.431 -0.793 . . . . 0.0 110.066 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.53 -41.66 96.23 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.386 -0.822 . . . . 0.0 110.078 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.0 mtt -69.25 -29.44 67.36 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.453 -0.779 . . . . 0.0 110.057 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.68 -38.09 80.08 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.115 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.86 -29.14 39.97 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.294 -0.879 . . . . 0.0 110.056 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.49 HD11 HD13 ' A' ' 71' ' ' LEU . 30.1 mt -89.29 -63.6 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.407 -0.808 . . . . 0.0 109.962 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.8 t0 . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.38 -0.825 . . . . 0.0 110.341 -179.839 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.165 0.507 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.1 mt -80.18 128.8 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.326 -0.858 . . . . 0.0 110.23 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.49 160.21 16.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.38 -0.825 . . . . 0.0 109.996 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.686 ' CE2' HD11 ' A' ' 69' ' ' LEU . 15.4 t80 -59.07 -30.36 68.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.297 -0.877 . . . . 0.0 110.3 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t -67.34 -54.36 21.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 110.134 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -63.14 -33.91 76.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.384 -0.823 . . . . 0.0 110.125 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.49 -49.71 72.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.133 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.686 HD11 ' CE2' ' A' ' 65' ' ' PHE . 44.3 mt -60.6 -33.02 72.12 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.417 -0.802 . . . . 0.0 110.242 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.72 -48.09 49.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.404 -0.81 . . . . 0.0 110.129 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.49 HD13 HD11 ' A' ' 55' ' ' ILE . 30.8 mt -62.13 -41.05 97.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.409 -0.807 . . . . 0.0 110.036 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.8 mmm -65.79 -34.47 78.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.438 -0.789 . . . . 0.0 110.091 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.419 -0.801 . . . . 0.0 110.014 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.159 0.504 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -58.05 -33.06 68.61 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -0.798 . . . . 0.0 110.223 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.95 -43.02 80.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.132 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.417 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -63.87 -42.65 97.47 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.407 -0.808 . . . . 0.0 110.066 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.29 -33.6 74.96 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.391 -0.818 . . . . 0.0 109.988 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -49.24 71.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.446 -0.784 . . . . 0.0 110.199 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.09 99.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.39 -0.819 . . . . 0.0 110.173 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HB3' HD13 ' A' ' 137' ' ' ILE . 11.4 m-85 -64.32 -33.76 76.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.315 -0.866 . . . . 0.0 110.109 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -43.3 95.35 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.308 -0.87 . . . . 0.0 109.965 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.8 t -64.15 -37.93 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.431 -0.793 . . . . 0.0 110.002 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -79.97 -14.91 58.23 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.392 -0.817 . . . . 0.0 110.484 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -57.33 129.92 43.96 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.247 -0.908 . . . . 0.0 110.369 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -109.12 26.23 10.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.294 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -134.32 -59.85 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.337 -0.852 . . . . 0.0 110.106 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.89 -28.76 1.14 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -99.74 -38.45 8.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.415 -1.05 . . . . 0.0 110.323 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.74 67.0 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.6 mt -131.93 108.33 9.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.324 -1.103 . . . . 0.0 110.108 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.5 pt -128.62 160.16 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.33 -0.856 . . . . 0.0 110.184 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.1 t -79.89 160.18 26.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.367 -0.833 . . . . 0.0 110.119 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.72 -26.7 14.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.302 -0.874 . . . . 0.0 110.569 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -50.78 60.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.721 ' O ' HG23 ' A' ' 108' ' ' VAL . 21.5 mt-10 -65.61 -33.33 75.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 110.052 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.793 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.2 tp -68.86 -32.67 72.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.0 110.172 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -73.23 -42.2 62.87 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 110.166 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -66.44 -29.29 69.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.427 -0.796 . . . . 0.0 110.215 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.6 t -79.19 -43.43 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.328 -0.857 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 112' ' ' ILE . 39.4 mt -62.01 -29.89 70.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.35 -0.844 . . . . 0.0 110.183 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.8 m -79.2 -29.37 42.84 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.332 -0.855 . . . . 0.0 110.133 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 m -77.48 -37.48 51.17 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.35 -0.844 . . . . 0.0 110.144 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 109' ' ' LEU . 62.7 mt -61.05 -27.1 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.36 -0.837 . . . . 0.0 110.174 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.62 28.87 25.65 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.79 -12.56 61.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.345 -1.091 . . . . 0.0 110.349 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 tttt 54.94 47.47 22.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.194 -0.941 . . . . 0.0 110.402 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt -99.66 115.51 29.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.397 -0.814 . . . . 0.0 110.227 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -61.21 162.81 7.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 110.163 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.36 -33.35 73.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.289 -0.882 . . . . 0.0 110.203 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.24 86.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.317 -0.864 . . . . 0.0 110.177 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.44 -52.33 47.46 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.405 -0.81 . . . . 0.0 110.108 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 125' ' ' LEU . 57.4 t -61.45 -29.23 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.359 -0.838 . . . . 0.0 109.95 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -65.93 -43.23 88.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.382 -0.824 . . . . 0.0 109.956 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.2 -31.84 69.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.345 -0.847 . . . . 0.0 110.067 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.448 ' HG2' HD13 ' A' ' 143' ' ' LEU . 1.1 ttp -79.98 -29.69 39.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.44 -0.787 . . . . 0.0 110.144 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 125' ' ' LEU . 12.8 mt -72.82 -33.52 66.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.338 -0.851 . . . . 0.0 110.235 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -66.24 -37.34 85.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -0.842 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -80.2 -29.82 38.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.343 -0.848 . . . . 0.0 110.324 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.588 HG12 HG23 ' A' ' 135' ' ' ILE . 62.6 t -90.4 -57.61 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.401 -0.812 . . . . 0.0 110.23 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 t -59.98 142.62 53.52 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.346 -0.847 . . . . 0.0 110.236 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -115.26 -44.41 3.0 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.95 -24.08 0.71 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.1 m -56.66 -27.33 58.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.298 -1.119 . . . . 0.0 110.458 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.33 31.12 6.63 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -154.32 129.35 9.55 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.382 -1.069 . . . . 0.0 110.173 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.588 HG23 HG12 ' A' ' 128' ' ' VAL . 86.1 mt -112.84 147.36 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.09 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -93.91 122.48 36.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.437 -0.789 . . . . 0.0 110.188 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 89' ' ' PHE . 1.3 pp -61.18 -21.43 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.327 -0.858 . . . . 0.0 110.362 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -60.15 -54.66 43.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.33 -0.856 . . . . 0.0 110.179 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.75 -36.04 82.56 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.84 . . . . 0.0 110.142 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.793 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -70.47 -40.09 73.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.387 -0.82 . . . . 0.0 109.998 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.63 -33.34 75.4 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.341 -0.849 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.53 -32.18 42.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.324 -0.86 . . . . 0.0 110.142 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.448 HD13 ' HG2' ' A' ' 124' ' ' MET . 2.5 mt -65.38 -35.33 80.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.328 -0.858 . . . . 0.0 110.231 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.416 HD11 HD21 ' A' ' 109' ' ' LEU . 90.2 mt -79.37 -30.92 42.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.287 -0.883 . . . . 0.0 110.229 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.321 -0.862 . . . . 0.0 110.254 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.222 0.534 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.01 -37.55 85.3 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.357 -0.839 . . . . 0.0 110.19 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.34 -43.34 91.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.377 -0.827 . . . . 0.0 110.056 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 25.4 mm-40 -67.56 -45.02 76.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.43 -0.794 . . . . 0.0 110.132 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.9 mt -65.64 -28.51 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.323 -0.86 . . . . 0.0 109.948 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.27 -37.04 71.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.28 -0.888 . . . . 0.0 110.076 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -66.78 -47.69 71.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.321 -0.862 . . . . 0.0 110.097 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 26.3 m-85 -61.82 -39.14 90.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.311 -0.868 . . . . 0.0 110.054 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -60.25 -40.45 90.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 0.0 110.146 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.11 -53.61 53.0 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.117 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.28 -30.51 70.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.38 -0.825 . . . . 0.0 110.151 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.673 ' CE1' HG23 ' A' ' 27' ' ' ILE . 14.2 t80 -74.25 -39.6 62.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.353 -0.842 . . . . 0.0 110.273 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.95 66.58 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.33 -0.856 . . . . 0.0 110.147 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 15' ' ' ALA . 33.1 mt -63.66 -39.72 95.04 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.371 -0.831 . . . . 0.0 110.283 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CZ ' HG22 ' A' ' 34' ' ' THR . 92.9 m-85 -102.23 25.43 8.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.332 -0.855 . . . . 0.0 110.131 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.336 -0.852 . . . . 0.0 110.163 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -157.76 142.6 16.58 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.402 -1.057 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.673 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.5 pt -120.51 157.24 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.376 -0.828 . . . . 0.0 110.256 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.09 159.07 22.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.425 -0.797 . . . . 0.0 110.193 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -60.84 -27.5 68.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -0.805 . . . . 0.0 110.13 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 p -63.54 -30.41 71.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.361 -0.837 . . . . 0.0 110.185 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.822 ' O ' HG23 ' A' ' 35' ' ' VAL . 44.8 mt-10 -94.02 -14.83 25.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 0.0 110.51 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.535 HD22 ' CD1' ' A' ' 63' ' ' ILE . 65.5 tp -53.26 -57.87 9.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.207 -0.933 . . . . 0.0 110.459 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.805 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -58.03 -35.92 71.99 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.265 -0.897 . . . . 0.0 110.218 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.492 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 40.9 m -67.57 -36.02 80.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.315 -0.866 . . . . 0.0 110.034 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.1 t -62.3 -44.93 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.439 -0.788 . . . . 0.0 109.805 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.5 mtt -64.01 -34.96 79.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.44 -0.787 . . . . 0.0 109.9 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -61.31 -40.55 94.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.395 -0.816 . . . . 0.0 110.053 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 m -75.97 -33.84 59.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.415 -0.803 . . . . 0.0 110.078 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.52 HD13 ' CE ' ' A' ' 72' ' ' MET . 16.9 mt -61.9 -23.31 66.24 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.394 -0.817 . . . . 0.0 110.224 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.48 34.91 0.68 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.5 mt -127.53 178.11 6.31 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.257 -1.143 . . . . 0.0 110.117 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 t -167.35 67.19 0.86 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.391 -0.818 . . . . 0.0 110.207 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HB2' ' CB ' ' A' ' 47' ' ' GLU . 47.4 Cg_endo -75.22 137.33 21.1 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 O-C-N 123.725 1.382 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.3 173.46 1.17 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.45 -0.781 . . . . 0.0 110.013 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.04 -28.73 66.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -0.861 . . . . 0.0 110.191 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.4 -43.35 77.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.453 -0.779 . . . . 0.0 109.983 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' CB ' ' HB2' ' A' ' 43' ' ' PRO . 5.5 mm-40 -64.8 -42.04 95.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -0.839 . . . . 0.0 109.989 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.805 HG13 ' HB2' ' A' ' 33' ' ' ALA . 67.0 t -60.89 -39.15 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.345 -0.847 . . . . 0.0 109.867 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -62.47 -40.72 97.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.421 -0.799 . . . . 0.0 109.908 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.17 -47.01 88.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.392 -0.817 . . . . 0.0 110.044 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 55' ' ' ILE . 5.9 mt -60.77 -46.48 90.3 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.434 -0.791 . . . . 0.0 109.884 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 mtt -66.17 -28.65 68.93 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -0.839 . . . . 0.0 109.84 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -65.55 -37.6 87.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.311 -0.868 . . . . 0.0 109.714 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -74.14 -38.28 63.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.452 -0.78 . . . . 0.0 109.896 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.796 HD12 ' O ' ' A' ' 51' ' ' LEU . 2.1 mt -82.15 -63.79 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.404 -0.81 . . . . 0.0 109.858 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.382 -0.824 . . . . 0.0 110.236 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.14 0.495 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.535 ' CD1' HD22 ' A' ' 32' ' ' LEU . 80.7 mt -104.01 121.83 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.369 -0.832 . . . . 0.0 110.169 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -89.25 160.21 17.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.381 -0.824 . . . . 0.0 110.133 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.705 ' CE2' HD11 ' A' ' 69' ' ' LEU . 18.7 t80 -56.43 -30.48 62.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.297 -0.877 . . . . 0.0 110.267 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -64.9 -60.01 3.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.824 . . . . 0.0 110.1 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.18 -33.14 73.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.397 -0.815 . . . . 0.0 110.084 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.463 ' CZ ' HG11 ' A' ' 35' ' ' VAL . 75.3 t80 -63.25 -47.65 81.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.085 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.705 HD11 ' CE2' ' A' ' 65' ' ' PHE . 36.9 mt -59.53 -42.45 92.35 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.319 -0.863 . . . . 0.0 110.12 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.33 86.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.286 -0.884 . . . . 0.0 110.054 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.1 -32.84 73.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.093 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.52 ' CE ' HD13 ' A' ' 39' ' ' LEU . 90.6 mmm -72.68 -35.93 67.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.336 -0.852 . . . . 0.0 110.026 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.493 1.675 0 O-C-N 121.455 -0.778 . . . . 0.0 110.182 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 121.12 0.486 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -55.66 -40.21 71.94 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.381 -0.824 . . . . 0.0 110.397 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.16 -44.45 92.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.263 -0.898 . . . . 0.0 110.137 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.449 HD22 ' HE2' ' A' ' 89' ' ' PHE . 1.3 mt -63.01 -41.56 99.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.352 -0.843 . . . . 0.0 110.211 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.0 mt -62.28 -32.89 73.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.463 -0.773 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -67.87 -47.05 69.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.31 -0.869 . . . . 0.0 110.225 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.76 90.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.351 -0.843 . . . . 0.0 110.215 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 137' ' ' ILE . 12.9 m-85 -62.56 -35.45 79.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.39 -0.819 . . . . 0.0 110.211 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -63.56 -44.34 94.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.393 -0.817 . . . . 0.0 110.173 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.83 -38.83 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.396 -0.815 . . . . 0.0 110.051 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.453 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.7 m-85 -73.54 -26.59 60.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.319 -0.863 . . . . 0.0 110.251 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -61.07 133.94 56.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.263 -0.898 . . . . 0.0 110.229 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -103.11 -31.87 9.95 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.348 -0.845 . . . . 0.0 110.168 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -33.79 70.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.292 -0.88 . . . . 0.0 110.234 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.49 -30.05 7.83 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -77.76 -67.36 0.73 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.361 -1.082 . . . . 0.0 110.187 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.58 55.82 0.01 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 mt -130.43 108.59 10.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.412 -1.052 . . . . 0.0 110.22 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.98 160.23 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.339 -0.851 . . . . 0.0 110.235 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -79.72 160.24 26.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.442 -0.786 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.82 -34.87 60.57 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.283 -0.886 . . . . 0.0 110.46 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.12 -52.53 64.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.41 -0.806 . . . . 0.0 110.181 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 108' ' ' VAL . 30.6 mt-10 -62.76 -30.08 71.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.243 -0.91 . . . . 0.0 110.035 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.71 HD21 ' CE2' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -69.42 -42.37 75.12 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.391 -0.818 . . . . 0.0 110.157 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -65.2 -42.35 93.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.41 -0.806 . . . . 0.0 110.085 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -61.81 -36.25 80.58 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.346 -0.847 . . . . 0.0 110.087 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 104' ' ' GLU . 73.6 t -71.2 -36.66 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.385 -0.822 . . . . 0.0 110.075 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 105' ' ' LEU . 1.8 mp -66.9 -29.27 69.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.438 -0.789 . . . . 0.0 110.26 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 m -78.54 -34.79 46.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.431 -0.793 . . . . 0.0 110.262 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 t -69.11 -40.92 78.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.313 -0.867 . . . . 0.0 110.223 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.78 -27.25 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.409 -0.807 . . . . 0.0 110.11 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.35 33.6 25.26 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -74.78 146.33 42.19 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.327 -1.101 . . . . 0.0 110.115 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.81 63.81 7.0 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.393 -0.817 . . . . 0.0 110.298 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.505 HD11 HD22 ' A' ' 144' ' ' LEU . 33.1 mt -109.88 114.75 28.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.848 . . . . 0.0 110.173 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -62.17 159.97 13.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.363 -0.836 . . . . 0.0 110.227 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.16 -28.3 69.03 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.395 -0.815 . . . . 0.0 110.131 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.88 -32.86 73.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.419 -0.801 . . . . 0.0 110.144 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.26 -50.16 49.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.28 -0.887 . . . . 0.0 110.119 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.71 -29.75 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.321 -0.862 . . . . 0.0 109.954 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -73.86 -51.47 16.13 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.402 -0.811 . . . . 0.0 109.96 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -64.56 -31.64 72.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.825 . . . . 0.0 110.018 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 14.5 mtp -69.51 -36.46 76.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 110.05 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.74 -42.11 86.75 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.375 -0.828 . . . . 0.0 110.142 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -60.44 -32.47 71.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.331 -0.856 . . . . 0.0 110.264 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -80.27 -44.04 20.32 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.317 -0.864 . . . . 0.0 110.314 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.597 ' CG1' HG23 ' A' ' 135' ' ' ILE . 57.4 t -80.71 -56.84 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.265 -0.897 . . . . 0.0 110.367 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.3 t -56.32 122.14 11.16 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.327 -0.858 . . . . 0.0 110.368 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -169.96 -37.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.407 -0.808 . . . . 0.0 110.333 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.7 -81.8 0.07 OUTLIER Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.8 p -124.89 -58.4 1.48 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.362 -1.081 . . . . 0.0 110.351 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.59 -36.89 0.05 OUTLIER Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -79.62 133.9 36.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.279 -1.13 . . . . 0.0 110.207 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.597 HG23 ' CG1' ' A' ' 128' ' ' VAL . 47.4 mt -107.95 141.31 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.364 -0.835 . . . . 0.0 110.218 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -83.34 149.68 26.59 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.355 -0.841 . . . . 0.0 110.08 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.54 HD13 ' HB3' ' A' ' 89' ' ' PHE . 4.1 pt -70.01 -18.86 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.353 -0.842 . . . . 0.0 110.605 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.01 -47.44 84.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.902 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -64.2 -51.81 61.92 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.317 -0.865 . . . . 0.0 110.123 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.71 ' CE2' HD21 ' A' ' 105' ' ' LEU . 1.2 m-85 -63.7 -32.58 74.11 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.323 -0.861 . . . . 0.0 110.109 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.53 70.11 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.397 -0.814 . . . . 0.0 110.163 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.36 -39.23 48.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.358 -0.839 . . . . 0.0 110.096 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.85 -36.43 83.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.388 -0.82 . . . . 0.0 110.226 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.505 HD22 HD11 ' A' ' 116' ' ' LEU . 89.0 mt -78.61 -16.05 57.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.858 . . . . 0.0 110.436 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.251 -0.905 . . . . 0.0 110.41 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.44 ' O ' HD12 ' A' ' 9' ' ' ILE . 64.5 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.257 0.551 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -61.87 -38.6 88.89 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.286 -0.884 . . . . 0.0 110.195 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -62.84 -47.61 82.63 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.304 -0.873 . . . . 0.0 110.082 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.2 mt-30 -63.91 -44.73 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.833 . . . . 0.0 110.057 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 5' ' ' THR . 40.7 mt -62.5 -28.12 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.368 -0.833 . . . . 0.0 109.959 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.48 -40.87 69.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.333 -0.854 . . . . 0.0 110.062 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -65.05 -47.98 75.43 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.073 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 22.9 m-85 -59.9 -40.03 87.41 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.34 -0.85 . . . . 0.0 110.026 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 8.6 ttmt -61.6 -39.52 91.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.481 -0.762 . . . . 0.0 110.203 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -60.72 -56.74 17.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 110.172 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.21 71.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.405 -0.81 . . . . 0.0 110.09 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -69.45 -47.82 62.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.293 -0.879 . . . . 0.0 110.162 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.1 -28.86 69.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.374 -0.829 . . . . 0.0 110.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mt -61.43 -29.45 69.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.394 -0.816 . . . . 0.0 110.205 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.474 ' CD1' HG22 ' A' ' 35' ' ' VAL . 77.8 m-85 -110.64 30.03 7.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.231 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.301 -0.874 . . . . 0.0 110.015 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -144.62 137.21 26.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.349 -1.089 . . . . 0.0 110.291 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.8 pt -125.22 157.99 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.377 -0.827 . . . . 0.0 110.222 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 m -79.97 158.25 26.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 0.0 110.199 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -62.22 -32.14 72.77 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.335 -0.853 . . . . 0.0 110.216 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -62.3 -31.19 71.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.398 -0.813 . . . . 0.0 110.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.7 mt-10 -83.39 -20.26 34.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.397 -0.814 . . . . 0.0 110.29 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.525 HD11 ' CE ' ' A' ' 36' ' ' MET . 69.3 tp -53.59 -50.98 64.46 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.279 -0.888 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.63 89.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.265 -0.897 . . . . 0.0 110.067 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 m -68.67 -39.07 80.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.361 -0.837 . . . . 0.0 109.916 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 31' ' ' GLU . 83.4 t -62.78 -38.13 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.417 -0.802 . . . . 0.0 109.908 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.525 ' CE ' HD11 ' A' ' 32' ' ' LEU . 67.2 mtt -71.31 -30.18 65.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.352 -0.842 . . . . 0.0 109.878 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -67.5 -36.74 81.66 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.378 -0.826 . . . . 0.0 110.027 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.2 m -80.15 -32.86 38.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.838 . . . . 0.0 110.146 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.46 -24.94 67.72 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.34 -0.85 . . . . 0.0 110.272 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.91 33.43 1.53 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.2 mt -120.45 179.25 4.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.377 -1.072 . . . . 0.0 110.227 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 p -167.72 68.21 0.85 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.826 . . . . 0.0 110.169 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.92 137.3 24.13 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 O-C-N 123.742 1.391 . . . . 0.0 110.462 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.57 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -65.07 176.05 1.39 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.375 -0.828 . . . . 0.0 110.076 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.57 -28.94 69.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.403 -0.81 . . . . 0.0 110.173 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.53 74.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.362 -0.836 . . . . 0.0 110.005 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -68.76 -34.58 75.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.45 -0.781 . . . . 0.0 109.955 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 44' ' ' SER . 60.7 t -69.61 -40.52 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.789 . . . . 0.0 109.873 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.96 -36.78 85.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.444 -0.785 . . . . 0.0 109.962 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -63.87 -48.75 75.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.328 -0.857 . . . . 0.0 109.976 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.816 ' O ' HD12 ' A' ' 55' ' ' ILE . 5.0 mp -65.06 -43.94 90.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 mtt -68.95 -26.61 65.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 0.0 109.969 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -69.37 -37.93 77.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.334 -0.854 . . . . 0.0 109.971 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -76.97 -28.29 55.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.395 -0.815 . . . . 0.0 110.09 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.816 HD12 ' O ' ' A' ' 51' ' ' LEU . 3.9 mt -94.02 -62.49 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.376 -0.827 . . . . 0.0 110.006 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.359 -0.838 . . . . 0.0 110.22 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.215 0.531 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.451 HD11 HG21 ' A' ' 55' ' ' ILE . 98.0 mt -91.26 122.23 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.422 -0.799 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.77 160.15 20.31 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.37 -0.831 . . . . 0.0 109.849 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.3 t80 -56.76 -34.34 67.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.25 -0.906 . . . . 0.0 110.315 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 p -61.82 -57.76 10.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.334 -0.854 . . . . 0.0 110.015 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.83 -31.61 72.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 109.934 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -63.1 -48.58 77.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.43 -0.793 . . . . 0.0 109.993 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' A' ' 65' ' ' PHE . 40.2 mt -60.08 -38.65 83.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.33 -0.856 . . . . 0.0 109.884 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.99 89.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.43 -0.794 . . . . 0.0 109.76 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.595 ' CD1' HD11 ' A' ' 55' ' ' ILE . 1.1 mt -62.91 -45.96 90.05 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.357 -0.84 . . . . 0.0 109.919 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.1 mmm -62.25 -33.49 74.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 0.0 109.609 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.349 -0.845 . . . . 0.0 109.763 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.121 0.486 . . . . 0.0 110.369 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.404 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 30.1 mt-30 -70.35 -40.79 73.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.317 -0.865 . . . . 0.0 110.027 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -60.07 -40.28 88.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.352 -0.843 . . . . 0.0 109.989 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.26 -51.42 66.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.387 -0.821 . . . . 0.0 109.814 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 82' ' ' GLU . 4.5 mt -65.26 -29.79 70.6 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.366 -0.834 . . . . 0.0 109.807 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 91' ' ' VAL . 15.0 tm-20 -76.53 -43.14 40.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.451 -0.78 . . . . 0.0 110.108 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.41 -48.33 75.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.333 -0.854 . . . . 0.0 110.213 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.591 ' CE1' HD12 ' A' ' 105' ' ' LEU . 16.4 m-85 -62.74 -37.83 88.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.162 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -61.77 -43.37 98.98 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.333 -0.854 . . . . 0.0 110.076 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 87' ' ' GLU . 61.6 t -65.3 -35.9 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.38 -0.825 . . . . 0.0 109.966 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.471 ' CE2' HG22 ' A' ' 108' ' ' VAL . 8.2 m-85 -74.45 -35.74 63.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.109 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' ASN . 24.7 t0 -62.52 -27.54 69.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.404 -0.81 . . . . 0.0 110.217 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.15 -65.36 0.19 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.55 -0.719 . . . . 0.0 110.526 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' ASP . 3.2 m-80 -54.19 -55.2 30.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.291 -0.881 . . . . 0.0 110.433 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.46 -21.51 5.69 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.75 -62.9 1.38 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.295 -1.121 . . . . 0.0 110.392 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.85 56.99 0.11 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mt -142.64 125.18 15.75 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.366 -1.079 . . . . 0.0 110.222 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.8 pt -140.0 160.06 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -0.852 . . . . 0.0 110.368 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.98 160.35 25.94 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.329 -0.857 . . . . 0.0 110.137 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.74 -28.37 21.85 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.409 -0.807 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.13 -53.26 39.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.136 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.741 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.4 mt-10 -61.11 -38.04 84.91 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.365 -0.835 . . . . 0.0 110.071 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.733 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 5.1 tp -62.22 -36.9 83.38 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.407 -0.808 . . . . 0.0 110.065 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -71.32 -42.78 68.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.46 -0.775 . . . . 0.0 110.133 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -66.0 -28.29 68.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.253 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 104' ' ' GLU . 96.1 t -79.96 -45.66 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.335 -0.853 . . . . 0.0 110.173 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -60.14 -29.9 68.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.395 -0.815 . . . . 0.0 110.249 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.8 m -78.16 -32.53 50.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.0 m -77.02 -37.56 54.74 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.354 -0.841 . . . . 0.0 110.162 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.734 HD11 HG12 ' A' ' 108' ' ' VAL . 57.7 mt -62.0 -26.09 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.288 -0.882 . . . . 0.0 110.226 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.95 38.75 22.25 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.523 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -75.29 -6.36 49.43 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.401 -1.058 . . . . 0.0 110.542 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? 54.63 44.37 28.75 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.157 -0.965 . . . . 0.0 110.412 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 114' ' ' GLU . 16.0 mt -104.33 124.17 48.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.322 -0.861 . . . . 0.0 110.213 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.9 p -70.32 167.18 18.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 0.0 110.256 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.44 -27.63 69.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.384 -0.822 . . . . 0.0 110.149 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.77 -47.69 84.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.355 -0.841 . . . . 0.0 110.177 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.65 -48.16 80.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.425 -0.797 . . . . 0.0 110.084 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.409 HG12 HD12 ' A' ' 125' ' ' LEU . 61.9 t -62.78 -34.1 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 109.951 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -67.44 -45.25 76.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.369 -0.832 . . . . 0.0 110.032 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.72 -28.59 66.97 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.403 -0.81 . . . . 0.0 110.084 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 128' ' ' VAL . 7.9 mtp -79.7 -34.72 39.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.374 -0.829 . . . . 0.0 110.099 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.538 HD23 ' CD1' ' A' ' 135' ' ' ILE . 6.9 mt -66.19 -41.27 90.45 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.36 -0.837 . . . . 0.0 110.169 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -66.01 -38.09 87.55 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.327 -0.858 . . . . 0.0 110.25 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.95 -36.3 36.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.31 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.729 HG12 HG23 ' A' ' 135' ' ' ILE . 73.4 t -83.23 -60.3 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.32 -0.863 . . . . 0.0 110.112 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 t -61.23 117.77 6.02 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.368 -0.832 . . . . 0.0 110.278 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.25 30.23 1.14 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.391 -0.818 . . . . 0.0 110.126 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -128.25 -94.21 0.8 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -134.39 -71.8 0.49 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.377 -1.072 . . . . 0.0 110.173 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.94 30.29 1.51 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -137.3 132.98 34.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -1.038 . . . . 0.0 110.169 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.729 HG23 HG12 ' A' ' 128' ' ' VAL . 85.0 mt -122.22 152.53 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.399 -0.813 . . . . 0.0 110.124 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.95 123.46 31.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.421 -0.799 . . . . 0.0 110.126 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.442 HG21 ' HB3' ' A' ' 89' ' ' PHE . 1.1 pt -63.26 -21.17 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.347 -0.846 . . . . 0.0 110.398 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.58 -39.82 84.84 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.256 -0.903 . . . . 0.0 110.178 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.17 -42.85 79.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.88 . . . . 0.0 110.136 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.733 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -67.52 -33.86 75.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.38 -0.825 . . . . 0.0 110.066 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.9 -35.05 77.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.388 -0.82 . . . . 0.0 110.149 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.33 61.89 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.405 -0.809 . . . . 0.0 110.092 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.43 -37.79 74.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.806 . . . . 0.0 110.113 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.86 -64.3 1.22 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.315 -0.865 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.8 t . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.434 -0.791 . . . . 0.0 110.412 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.126 0.489 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.37 -36.21 81.57 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.852 . . . . 0.0 110.119 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.83 -46.01 80.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -66.57 -44.52 82.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.406 -0.809 . . . . 0.0 110.056 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.51 -29.8 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 109.84 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.62 75.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.375 -0.828 . . . . 0.0 109.853 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -65.18 -50.37 66.2 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.756 . . . . 0.0 109.983 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.07 -33.39 72.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.332 -0.855 . . . . 0.0 109.99 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.48 -44.54 96.15 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.356 -0.84 . . . . 0.0 110.017 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.57 -47.08 87.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.34 -0.85 . . . . 0.0 110.04 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -68.69 -36.49 78.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.349 -0.845 . . . . 0.0 109.94 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.884 ' CE1' HG23 ' A' ' 27' ' ' ILE . 4.6 t80 -67.28 -48.98 66.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.414 -0.804 . . . . 0.0 110.079 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -28.5 69.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.16 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 15' ' ' ALA . 12.4 mt -62.23 -26.79 68.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.388 -0.82 . . . . 0.0 110.246 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -116.18 33.16 5.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.352 -0.843 . . . . 0.0 110.217 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.384 -0.823 . . . . 0.0 109.922 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -134.82 141.08 46.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.352 -1.087 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.884 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -124.51 159.79 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.375 -0.828 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.1 m -83.89 160.15 21.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.858 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -60.22 -39.44 86.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.388 -0.82 . . . . 0.0 110.434 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -27.75 60.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.277 -0.889 . . . . 0.0 110.391 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 35' ' ' VAL . 26.9 mt-10 -91.59 -17.15 26.02 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.357 -0.84 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.542 HD22 HD13 ' A' ' 55' ' ' ILE . 67.8 tp -54.99 -58.69 6.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.202 -0.936 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.28 67.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.233 -0.917 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.8 m -70.23 -37.7 75.04 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.385 -0.822 . . . . 0.0 110.087 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 31' ' ' GLU . 84.2 t -61.22 -38.59 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 0.0 109.834 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.7 mtt -70.4 -36.64 74.18 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.334 -0.854 . . . . 0.0 109.801 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.1 mtp85 -65.69 -35.16 79.96 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.481 -0.762 . . . . 0.0 110.11 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.76 -33.44 40.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.46 -0.775 . . . . 0.0 110.259 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.49 -26.37 67.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.423 -0.798 . . . . 0.0 110.133 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.39 35.65 0.69 Allowed Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.0 mt -124.89 178.71 5.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.273 -1.134 . . . . 0.0 110.076 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -167.45 67.16 0.85 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.354 -0.841 . . . . 0.0 110.249 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.16 138.5 27.98 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.726 1.382 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.34 168.9 1.85 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.302 -0.874 . . . . 0.0 110.161 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.81 -28.45 67.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.238 -0.914 . . . . 0.0 110.177 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.26 76.61 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.375 -0.828 . . . . 0.0 110.064 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.13 -40.59 94.68 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.403 -0.81 . . . . 0.0 109.965 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.17 -39.65 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.339 -0.851 . . . . 0.0 110.005 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.02 -41.79 97.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.408 -0.808 . . . . 0.0 110.094 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -60.57 -49.59 76.94 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.382 -0.824 . . . . 0.0 110.122 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.18 -41.11 98.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.273 -0.892 . . . . 0.0 110.08 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.1 mtt -70.12 -28.02 65.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.414 -0.804 . . . . 0.0 109.991 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -68.68 -35.86 77.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.3 -0.875 . . . . 0.0 109.903 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -80.57 -28.62 37.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.36 -0.838 . . . . 0.0 109.953 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.542 HD13 HD22 ' A' ' 32' ' ' LEU . 28.8 mt -94.71 -65.0 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.376 -0.827 . . . . 0.0 109.983 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.424 -0.797 . . . . 0.0 110.271 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.202 0.525 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.453 ' CD1' HD22 ' A' ' 32' ' ' LEU . 77.9 mt -79.84 135.02 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.873 . . . . 0.0 110.114 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.11 160.04 15.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.371 -0.831 . . . . 0.0 110.144 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 69' ' ' LEU . 22.0 t80 -59.38 -26.46 65.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.39 -0.819 . . . . 0.0 110.375 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 t -72.49 -51.06 21.73 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.257 -0.902 . . . . 0.0 110.176 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 71' ' ' LEU . 7.6 mm-40 -67.07 -32.2 73.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.374 -0.829 . . . . 0.0 110.126 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.24 -48.96 71.44 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.302 -0.873 . . . . 0.0 110.12 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 65' ' ' PHE . 62.9 mt -60.16 -40.9 91.52 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.084 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.32 73.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.326 -0.859 . . . . 0.0 110.055 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 67' ' ' GLU . 27.4 mt -65.42 -34.63 78.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.369 -0.832 . . . . 0.0 109.972 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.0 mmm -66.88 -42.09 86.17 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.389 -0.82 . . . . 0.0 110.113 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.313 -0.867 . . . . 0.0 110.162 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.147 0.499 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -55.31 -41.91 73.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.342 -0.849 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.87 -36.44 80.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.364 -0.835 . . . . 0.0 109.796 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.433 HD22 ' HE2' ' A' ' 89' ' ' PHE . 2.4 mt -69.81 -44.7 69.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.451 -0.78 . . . . 0.0 109.823 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.67 -30.91 71.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 0.0 109.922 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.8 -50.1 63.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 109.877 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.87 89.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.399 -0.813 . . . . 0.0 109.993 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.675 ' HB3' HG21 ' A' ' 137' ' ' ILE . 10.8 m-85 -61.07 -36.12 78.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.428 -0.795 . . . . 0.0 109.994 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -61.94 -45.44 93.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.398 -0.814 . . . . 0.0 109.909 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.05 -32.58 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.395 -0.816 . . . . 0.0 109.878 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.19 -30.61 54.88 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.437 -0.789 . . . . 0.0 110.134 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 1.0 OUTLIER -63.69 -42.87 97.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.369 -0.832 . . . . 0.0 110.24 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 93' ' ' ASP . 11.7 tptt 67.6 -61.38 0.36 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.528 -0.733 . . . . 0.0 110.721 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -50.5 -33.05 19.97 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.174 -0.954 . . . . 0.0 110.705 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.31 -48.98 0.9 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -57.11 -175.58 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.229 -1.159 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -116.95 68.91 0.29 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mt -146.94 124.41 11.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -1.103 . . . . 0.0 110.203 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.6 pt -139.44 160.28 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.394 -0.816 . . . . 0.0 110.237 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.6 160.27 26.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.395 -0.816 . . . . 0.0 110.248 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.25 -30.33 27.21 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.357 -0.84 . . . . 0.0 110.485 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.15 -52.29 56.02 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.304 -0.873 . . . . 0.0 110.065 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.769 ' O ' HG23 ' A' ' 108' ' ' VAL . 16.7 mt-10 -63.47 -28.82 70.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 0.0 110.052 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.809 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -71.04 -42.32 69.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.342 -0.849 . . . . 0.0 110.17 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -39.38 93.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 0.0 110.181 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.65 -37.08 85.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.349 -0.845 . . . . 0.0 110.203 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 104' ' ' GLU . 75.2 t -68.64 -44.97 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.355 -0.841 . . . . 0.0 110.078 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -30.75 70.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.315 -0.865 . . . . 0.0 110.172 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -79.58 -29.68 41.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.327 -0.858 . . . . 0.0 110.16 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -75.82 -38.48 58.08 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.354 -0.842 . . . . 0.0 110.212 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.13 -25.23 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.392 -0.817 . . . . 0.0 110.137 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.58 28.54 47.09 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.26 150.2 46.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.388 -1.066 . . . . 0.0 110.184 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.36 64.33 6.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.325 -0.859 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.65 HD11 HD22 ' A' ' 144' ' ' LEU . 39.1 mt -123.22 132.67 54.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.332 -0.855 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 42.1 p -81.97 179.21 7.9 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.434 -0.791 . . . . 0.0 110.223 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -27.43 64.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.353 -0.842 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.77 77.76 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.373 -0.83 . . . . 0.0 110.177 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.61 -49.3 60.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.382 -0.824 . . . . 0.0 110.126 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.31 -31.03 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.359 -0.838 . . . . 0.0 110.129 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.31 -44.17 75.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.389 -0.819 . . . . 0.0 110.124 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -71.99 -35.16 69.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.415 -0.803 . . . . 0.0 110.116 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.1 ttp -72.52 -28.36 62.81 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.38 -0.825 . . . . 0.0 110.155 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.7 mt -73.72 -44.26 56.91 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.306 -0.871 . . . . 0.0 110.055 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -27.85 69.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.353 -0.842 . . . . 0.0 110.16 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.97 -24.86 40.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.332 -0.855 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.656 ' CG1' HG23 ' A' ' 135' ' ' ILE . 52.3 t -108.22 -63.27 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.292 -0.88 . . . . 0.0 110.189 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -157.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.381 -0.825 . . . . 0.0 110.281 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.0 t70 53.8 39.92 30.91 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.305 -0.872 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -134.44 -83.95 0.2 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.6 m -99.51 -41.88 7.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.302 -1.117 . . . . 0.0 110.241 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 158.92 -73.78 0.22 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -80.37 154.78 27.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.407 -1.055 . . . . 0.0 110.223 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.656 HG23 ' CG1' ' A' ' 128' ' ' VAL . 85.9 mt -104.26 146.31 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.447 -0.783 . . . . 0.0 110.243 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.34 132.43 34.95 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.36 -0.838 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.675 HG21 ' HB3' ' A' ' 89' ' ' PHE . 17.3 pt -69.27 -21.76 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -64.62 -42.23 95.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.292 -0.88 . . . . 0.0 110.152 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -70.26 -42.24 72.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 110.203 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.809 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -67.58 -45.66 74.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.3 -0.875 . . . . 0.0 110.03 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.92 -28.55 70.14 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.344 -0.848 . . . . 0.0 110.124 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.36 -29.19 53.22 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.338 -0.851 . . . . 0.0 110.161 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.43 -32.87 62.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.427 -0.796 . . . . 0.0 110.19 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.65 HD22 HD11 ' A' ' 116' ' ' LEU . 88.4 mt -79.79 -20.09 47.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.456 -0.777 . . . . 0.0 110.397 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.209 -0.932 . . . . 0.0 110.302 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.147 0.499 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -62.22 -38.27 88.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.372 -0.83 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -61.08 -51.38 69.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.403 -0.811 . . . . 0.0 110.067 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 14.3 mm100 -62.75 -46.1 89.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.414 -0.804 . . . . 0.0 110.136 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.63 -29.82 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.287 -0.883 . . . . 0.0 109.986 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.02 88.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.395 -0.816 . . . . 0.0 110.114 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.85 -48.56 78.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.419 -0.8 . . . . 0.0 110.212 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 26.7 m-85 -60.58 -40.97 93.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.397 -0.814 . . . . 0.0 110.191 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 15.0 ttmt -58.7 -37.24 75.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.309 -0.87 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.19 -55.27 19.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.372 -0.83 . . . . 0.0 110.084 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.452 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -64.92 -32.39 74.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.33 -0.856 . . . . 0.0 110.181 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.707 ' CE1' HG23 ' A' ' 27' ' ' ILE . 7.6 t80 -68.95 -51.29 41.22 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.368 -0.832 . . . . 0.0 110.187 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.54 67.32 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.415 -0.803 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 15' ' ' ALA . 12.4 mt -64.17 -25.38 68.05 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.454 -0.779 . . . . 0.0 110.428 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -116.5 32.17 6.29 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.221 -0.924 . . . . 0.0 110.44 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.287 -0.883 . . . . 0.0 110.184 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 m -141.27 141.25 33.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.34 -1.094 . . . . 0.0 110.197 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.707 HG23 ' CE1' ' A' ' 16' ' ' PHE . 45.0 pt -125.31 157.37 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.447 -0.783 . . . . 0.0 110.274 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 m -83.21 156.95 22.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -0.894 . . . . 0.0 110.172 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -60.63 -28.24 68.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.352 -0.842 . . . . 0.0 110.198 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.0 p -61.71 -29.14 69.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.438 -0.789 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.824 ' O ' HG23 ' A' ' 35' ' ' VAL . 19.6 mt-10 -94.72 -14.01 25.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.365 -0.834 . . . . 0.0 110.536 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 63' ' ' ILE . 54.0 tp -56.03 -44.55 78.87 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.234 -0.916 . . . . 0.0 110.455 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.685 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -61.46 -45.8 92.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.346 -0.846 . . . . 0.0 110.203 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.6 m -64.63 -36.17 83.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.378 -0.826 . . . . 0.0 110.019 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 31' ' ' GLU . 91.3 t -62.09 -39.42 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.38 -0.825 . . . . 0.0 109.908 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.3 mtt -69.76 -35.14 74.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.368 -0.832 . . . . 0.0 109.937 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -68.53 -40.31 80.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.426 -0.796 . . . . 0.0 110.214 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.5 m -68.22 -35.02 77.31 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.798 . . . . 0.0 110.163 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.521 HD13 ' HE1' ' A' ' 72' ' ' MET . 14.4 mt -65.04 -33.75 76.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.485 -0.76 . . . . 0.0 110.062 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.62 -9.94 2.9 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -78.78 178.99 7.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.247 -1.149 . . . . 0.0 110.106 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -167.9 58.27 0.4 Allowed Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.311 -0.868 . . . . 0.0 110.286 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.99 137.18 26.2 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 O-C-N 123.79 1.416 . . . . 0.0 110.368 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -60.5 171.04 1.19 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.352 -0.842 . . . . 0.0 110.15 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -29.61 67.6 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 110.216 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.89 85.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.418 -0.801 . . . . 0.0 110.04 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -65.34 -42.01 93.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.052 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.685 ' CG1' ' HB2' ' A' ' 33' ' ' ALA . 50.1 t -64.26 -37.17 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.411 -0.806 . . . . 0.0 109.98 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.09 -39.9 96.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.386 -0.821 . . . . 0.0 109.951 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -62.26 -50.63 70.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.371 -0.831 . . . . 0.0 110.05 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.64 -42.18 98.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.354 -0.841 . . . . 0.0 109.996 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.0 mtt -66.77 -41.9 86.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.372 -0.83 . . . . 0.0 110.061 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -60.72 -28.03 68.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.378 -0.826 . . . . 0.0 110.08 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -82.03 -27.92 32.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.344 -0.848 . . . . 0.0 109.888 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mt -84.24 -56.01 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.41 -0.806 . . . . 0.0 110.046 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 . . . . . 0 N--CA 1.495 1.775 0 O-C-N 121.244 -0.91 . . . . 0.0 110.56 -179.687 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.191 0.519 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.413 ' CD1' HD22 ' A' ' 32' ' ' LEU . 79.8 mt -79.7 132.94 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.305 -0.872 . . . . 0.0 110.1 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -94.41 160.14 14.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.456 -0.777 . . . . 0.0 110.123 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.8 t80 -57.73 -27.89 63.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.262 -0.899 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -69.91 -51.73 30.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.364 -0.835 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.87 -35.35 79.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.383 -0.823 . . . . 0.0 110.058 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -64.41 -46.27 84.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.363 -0.836 . . . . 0.0 110.155 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.776 HD11 ' CE2' ' A' ' 65' ' ' PHE . 54.1 mt -60.67 -40.79 93.44 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.401 -0.812 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.47 -43.13 73.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.304 -0.872 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.31 -33.85 76.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.361 -0.837 . . . . 0.0 110.187 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.521 ' HE1' HD13 ' A' ' 39' ' ' LEU . 77.8 mmm -71.68 -35.59 70.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.397 -0.814 . . . . 0.0 110.171 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 55.0 p . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.329 -0.857 . . . . 0.0 110.115 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.128 0.489 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.49 -30.36 68.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.378 -0.826 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -69.26 -41.18 77.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.824 . . . . 0.0 110.163 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.5 ' CD2' HD13 ' A' ' 112' ' ' ILE . 1.2 mt -67.54 -44.22 78.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.378 -0.826 . . . . 0.0 110.102 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.88 -27.15 68.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.437 -0.79 . . . . 0.0 110.217 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.696 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.6 OUTLIER -71.65 -43.15 66.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.369 -0.832 . . . . 0.0 110.186 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.68 -46.26 72.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.373 -0.829 . . . . 0.0 110.177 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.619 ' HB3' HD13 ' A' ' 137' ' ' ILE . 15.9 m-85 -63.1 -34.49 77.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.372 -0.83 . . . . 0.0 110.193 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -66.74 -38.94 87.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.346 -0.846 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 87' ' ' GLU . 59.7 t -65.97 -36.38 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.37 -0.831 . . . . 0.0 110.109 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -69.37 -30.28 68.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.337 -0.852 . . . . 0.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.6 141.75 40.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -106.74 -44.36 4.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.365 -0.834 . . . . 0.0 110.152 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -58.4 -41.36 84.73 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.343 -0.848 . . . . 0.0 110.19 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.82 -42.15 1.49 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.5 150.34 44.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.345 -1.091 . . . . 0.0 110.232 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.01 83.66 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 99' ' ' LEU . 14.1 mt -146.32 111.36 5.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.376 -1.073 . . . . 0.0 110.224 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.7 pt -139.11 160.3 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.304 -0.873 . . . . 0.0 110.225 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -79.74 160.17 26.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.229 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.58 -33.67 60.66 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.36 -0.838 . . . . 0.0 110.394 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.1 -53.25 58.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.258 -0.901 . . . . 0.0 110.115 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.737 ' O ' HG23 ' A' ' 108' ' ' VAL . 22.1 mt-10 -62.55 -28.83 70.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.361 -0.837 . . . . 0.0 109.971 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.67 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -70.25 -43.93 69.54 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.353 -0.842 . . . . 0.0 110.041 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.95 -40.51 91.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.359 -0.838 . . . . 0.0 110.081 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -62.27 -36.48 82.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.099 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 104' ' ' GLU . 92.9 t -71.77 -37.17 61.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.437 -0.789 . . . . 0.0 110.085 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 105' ' ' LEU . 4.3 mp -62.65 -35.21 78.88 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.362 -0.836 . . . . 0.0 110.257 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.0 m -75.0 -36.08 61.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -68.13 -40.75 82.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.364 -0.835 . . . . 0.0 110.125 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.562 HD11 HG12 ' A' ' 108' ' ' VAL . 63.8 mt -62.11 -26.18 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.317 -0.865 . . . . 0.0 110.136 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.33 30.92 26.49 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.65 130.16 39.02 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.362 -1.081 . . . . 0.0 110.156 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 64.25 4.68 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.384 -0.822 . . . . 0.0 110.264 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.4 mt -111.74 131.82 55.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.886 . . . . 0.0 110.25 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.8 p -73.14 -178.82 3.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.377 -0.827 . . . . 0.0 110.109 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.46 -33.34 54.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 0.0 110.133 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.37 83.72 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.308 -0.87 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.4 -52.09 63.06 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 110.121 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.401 HG12 HD12 ' A' ' 125' ' ' LEU . 89.4 t -61.23 -25.6 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.379 -0.825 . . . . 0.0 110.031 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.47 -49.22 23.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.344 -0.847 . . . . 0.0 110.03 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -69.07 -33.21 73.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.459 -0.776 . . . . 0.0 110.066 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.563 ' O ' HG23 ' A' ' 128' ' ' VAL . 2.7 ttp -75.63 -28.4 58.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.403 -0.811 . . . . 0.0 110.158 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.401 HD12 HG12 ' A' ' 121' ' ' VAL . 8.7 mt -72.57 -39.86 67.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.406 -0.809 . . . . 0.0 110.265 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -66.4 -33.01 74.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.368 -0.833 . . . . 0.0 110.237 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -80.0 -30.9 39.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.322 -0.862 . . . . 0.0 110.374 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 124' ' ' MET . 57.8 t -89.41 -35.65 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 110.152 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 t -75.02 64.51 1.34 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.2 -27.24 63.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.352 -0.843 . . . . 0.0 110.187 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -97.23 -114.29 3.18 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.66 -38.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -1.11 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -60.41 -100.71 0.01 OUTLIER Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -108.08 159.58 16.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.31 -1.111 . . . . 0.0 110.321 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.561 HG23 HG12 ' A' ' 128' ' ' VAL . 74.2 mt -101.41 155.29 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.358 -0.839 . . . . 0.0 110.158 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.02 122.56 35.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.436 -0.79 . . . . 0.0 110.095 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.619 HD13 ' HB3' ' A' ' 89' ' ' PHE . 8.7 pt -61.9 -20.48 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.362 -0.836 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -43.0 97.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.233 -0.917 . . . . 0.0 110.142 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -71.04 -43.71 67.3 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.318 -0.864 . . . . 0.0 110.04 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.67 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -67.27 -44.38 79.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.298 -0.876 . . . . 0.0 109.936 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.34 75.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.445 -0.785 . . . . 0.0 110.099 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.77 89.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.317 -0.864 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.502 HD13 ' CG ' ' A' ' 124' ' ' MET . 5.7 mt -68.03 -38.01 82.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.429 -0.795 . . . . 0.0 110.063 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.44 -25.17 45.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.437 -0.789 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.338 -0.851 . . . . 0.0 110.231 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.184 0.516 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 11.3 mt-10 -58.77 -35.43 72.77 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.212 -0.93 . . . . 0.0 110.234 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.54 -55.72 21.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 109.759 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -62.54 -42.16 99.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 109.946 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.94 -32.85 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 0.0 109.664 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -62.06 -36.75 82.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.459 -0.776 . . . . 0.0 109.741 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.59 -48.11 56.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.365 -0.834 . . . . 0.0 109.986 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.49 -41.12 96.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 0.0 109.924 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -59.99 -41.49 92.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.393 -0.817 . . . . 0.0 110.37 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.35 -55.43 33.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.346 -0.847 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -64.62 -30.66 71.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.308 -0.87 . . . . 0.0 110.204 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CE1' HG23 ' A' ' 27' ' ' ILE . 7.6 t80 -72.58 -38.14 67.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.354 -0.841 . . . . 0.0 110.225 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.18 -28.97 65.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.395 -0.816 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 15' ' ' ALA . 28.5 mt -61.76 -25.88 67.73 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.869 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -116.49 33.36 5.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.333 -0.854 . . . . 0.0 110.264 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.86 . . . . 0.0 110.42 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.21 132.46 12.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.367 -1.079 . . . . 0.0 109.976 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.582 HG23 ' CE1' ' A' ' 16' ' ' PHE . 45.0 pt -116.93 159.57 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.346 -0.846 . . . . 0.0 110.305 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -88.56 160.09 17.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.428 -0.795 . . . . 0.0 110.213 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.15 -37.23 76.8 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.371 -0.831 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -55.57 -27.0 46.66 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.391 -0.818 . . . . 0.0 110.333 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.808 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.4 mt-10 -98.6 -16.28 19.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.351 -0.843 . . . . 0.0 110.315 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' A' ' 63' ' ' ILE . 44.2 tp -57.56 -51.54 69.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.317 -0.865 . . . . 0.0 110.357 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.13 74.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.345 -0.847 . . . . 0.0 110.106 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.2 m -69.09 -36.74 77.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.342 -0.849 . . . . 0.0 110.082 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 31' ' ' GLU . 79.6 t -62.89 -37.53 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 0.0 109.949 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.2 mtt -69.89 -37.68 76.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.419 -0.801 . . . . 0.0 109.914 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -62.9 -37.55 87.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.374 -0.829 . . . . 0.0 110.13 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -78.16 -32.06 50.0 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.366 -0.834 . . . . 0.0 110.091 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.99 -22.78 64.98 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.379 -0.826 . . . . 0.0 110.184 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.54 34.52 0.92 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.0 mt -125.92 175.79 7.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.324 -1.104 . . . . 0.0 110.323 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -168.18 62.65 0.56 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.464 -0.772 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.62 139.73 31.56 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.811 1.427 . . . . 0.0 110.49 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 m -62.58 169.14 3.2 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.396 -0.815 . . . . 0.0 110.027 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -28.18 65.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.336 -0.853 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.35 76.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.044 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.02 -42.12 94.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.0 110.042 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.42 -39.23 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.389 -0.819 . . . . 0.0 109.966 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -61.27 -42.21 98.24 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.506 -0.746 . . . . 0.0 110.069 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.53 -49.33 78.21 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.444 -0.785 . . . . 0.0 110.207 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.97 -44.94 91.2 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.263 -0.898 . . . . 0.0 110.132 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.8 mtt -64.51 -28.82 69.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 110.057 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -68.19 -41.98 80.62 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.085 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.72 -30.73 68.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.157 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.631 HD11 HD13 ' A' ' 71' ' ' LEU . 11.8 mt -88.3 -55.61 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.1 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.444 -0.785 . . . . 0.0 110.337 -179.77 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.149 0.499 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.467 ' CD1' HD22 ' A' ' 32' ' ' LEU . 79.8 mt -90.18 121.2 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.37 -0.831 . . . . 0.0 110.129 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.86 160.2 18.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.392 -0.817 . . . . 0.0 110.02 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.6 t80 -56.06 -26.3 48.69 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.365 -0.835 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -71.66 -51.08 24.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.353 -0.842 . . . . 0.0 109.978 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.02 -35.6 80.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.386 -0.821 . . . . 0.0 110.017 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -62.12 -50.71 70.81 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.446 -0.784 . . . . 0.0 109.954 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 65' ' ' PHE . 55.4 mt -58.89 -37.09 75.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 110.054 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.81 -47.41 72.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.631 HD13 HD11 ' A' ' 55' ' ' ILE . 3.1 mt -61.88 -42.99 99.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.424 -0.798 . . . . 0.0 110.024 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.4 mmm -64.06 -41.14 97.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.39 -0.819 . . . . 0.0 109.98 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.372 -0.83 . . . . 0.0 110.195 179.774 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.22 0.533 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -27.09 61.81 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.414 -0.804 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.56 -45.38 75.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.304 -0.873 . . . . 0.0 110.077 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.457 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -64.38 -46.43 83.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.321 -0.862 . . . . 0.0 109.911 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.47 -31.11 71.65 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.37 -0.831 . . . . 0.0 110.094 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 91' ' ' VAL . 17.7 mm-40 -74.18 -42.88 59.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.383 -0.823 . . . . 0.0 110.095 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.28 99.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.349 -0.844 . . . . 0.0 110.063 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.615 ' HB3' HD13 ' A' ' 137' ' ' ILE . 12.4 m-85 -66.98 -37.47 84.3 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.365 -0.835 . . . . 0.0 110.045 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -65.31 -37.26 86.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.377 -0.827 . . . . 0.0 110.194 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 87' ' ' GLU . 79.5 t -65.0 -45.55 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.042 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.477 ' CE2' HG22 ' A' ' 108' ' ' VAL . 8.5 m-85 -60.84 -25.2 66.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.365 -0.834 . . . . 0.0 110.226 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.65 171.84 1.43 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.368 -0.833 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 -69.88 0.74 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.876 . . . . 0.0 110.218 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -84.17 -61.74 1.74 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.308 -0.87 . . . . 0.0 110.223 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.25 45.21 0.02 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.87 -31.34 6.14 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.335 -1.097 . . . . 0.0 110.137 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.66 64.5 0.56 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.6 mt -146.26 104.58 3.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -1.118 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.413 HD11 HD12 ' A' ' 105' ' ' LEU . 44.8 pt -129.42 159.02 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.373 -0.829 . . . . 0.0 110.23 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -79.93 160.18 26.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.382 -0.824 . . . . 0.0 110.194 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.03 -34.41 59.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.358 -0.838 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.13 87.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.047 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.75 ' O ' HG23 ' A' ' 108' ' ' VAL . 18.7 mt-10 -69.31 -31.06 69.29 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.342 -0.849 . . . . 0.0 109.904 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.607 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.7 OUTLIER -71.64 -37.38 70.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.387 -0.821 . . . . 0.0 110.072 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -70.04 -39.06 75.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.413 -0.804 . . . . 0.0 110.23 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -67.03 -35.49 80.0 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 0.0 110.24 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 104' ' ' GLU . 89.8 t -70.79 -40.11 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.315 -0.866 . . . . 0.0 110.131 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.82 -31.37 72.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.177 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.7 m -79.56 -35.92 39.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.382 -0.824 . . . . 0.0 110.268 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.68 -40.24 84.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.382 -0.824 . . . . 0.0 110.168 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.478 HD11 HG12 ' A' ' 108' ' ' VAL . 55.4 mt -61.68 -28.58 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.311 -0.868 . . . . 0.0 110.147 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.9 37.56 25.53 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -12.08 61.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.426 -1.044 . . . . 0.0 110.458 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.07 46.25 22.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.224 -0.922 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.796 HD11 HD22 ' A' ' 144' ' ' LEU . 13.8 mt -97.52 127.77 43.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.479 -0.763 . . . . 0.0 110.064 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.7 p -60.91 157.93 14.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -0.854 . . . . 0.0 110.187 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.97 -27.88 68.59 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.301 -0.874 . . . . 0.0 110.18 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.99 -29.83 69.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.469 -0.77 . . . . 0.0 110.175 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.36 -51.42 20.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.356 -0.84 . . . . 0.0 110.093 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.78 -28.85 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.453 -0.779 . . . . 0.0 109.879 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.42 -40.07 77.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.46 -0.775 . . . . 0.0 110.037 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -73.4 -29.12 62.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.387 -0.82 . . . . 0.0 110.088 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.544 ' O ' HG23 ' A' ' 128' ' ' VAL . 3.8 mtm -78.04 -38.77 43.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.426 -0.796 . . . . 0.0 110.1 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.523 HD21 HD22 ' A' ' 105' ' ' LEU . 20.4 mt -66.08 -41.4 90.75 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.368 -0.833 . . . . 0.0 110.124 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -32.9 67.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.487 -0.758 . . . . 0.0 110.162 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -79.51 -38.14 35.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 0.0 110.182 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 124' ' ' MET . 67.0 t -81.08 -55.45 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.4 -0.813 . . . . 0.0 110.033 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 t -66.26 147.71 52.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.358 -0.839 . . . . 0.0 110.186 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -132.77 31.18 3.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.339 -0.851 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.47 46.23 5.57 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.7 t -121.7 -51.46 2.04 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.382 -1.07 . . . . 0.0 110.209 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 128.19 -41.47 1.57 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -104.86 153.81 20.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.386 -1.067 . . . . 0.0 110.176 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.543 HG23 HG12 ' A' ' 128' ' ' VAL . 88.8 mt -133.33 141.92 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.838 . . . . 0.0 110.167 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -80.59 142.2 34.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.447 -0.783 . . . . 0.0 110.166 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.615 HD13 ' HB3' ' A' ' 89' ' ' PHE . 5.9 pt -79.7 -16.56 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.352 -0.842 . . . . 0.0 110.575 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -59.7 -50.0 75.56 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.215 -0.928 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -70.7 -36.94 73.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.194 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.607 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -71.33 -43.15 67.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.401 -0.812 . . . . 0.0 110.033 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.54 70.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.361 -0.837 . . . . 0.0 110.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.86 -33.45 59.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.836 . . . . 0.0 110.127 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.485 HD13 ' SD ' ' A' ' 124' ' ' MET . 8.3 mt -68.62 -38.32 80.45 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.455 -0.778 . . . . 0.0 110.091 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 116' ' ' LEU . 84.4 mt -79.12 -63.53 1.4 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.459 -0.776 . . . . 0.0 110.143 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.356 -0.84 . . . . 0.0 110.524 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.557 ' O ' HD12 ' A' ' 9' ' ' ILE . 12.1 p . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.152 0.501 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.71 -35.71 73.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.272 -0.893 . . . . 0.0 110.235 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -67.63 -40.95 84.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 0.0 109.959 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 29.0 mm-40 -68.48 -44.85 73.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.437 -0.789 . . . . 0.0 110.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 5' ' ' THR . 12.4 mt -64.13 -28.56 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.357 -0.839 . . . . 0.0 110.008 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -42.12 70.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.393 -0.817 . . . . 0.0 110.022 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -61.67 -48.73 79.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.431 -0.793 . . . . 0.0 110.162 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.596 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 26.3 m-85 -60.15 -39.33 85.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.18 -39.18 81.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.305 -0.872 . . . . 0.0 110.181 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.65 -53.73 46.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.36 -0.837 . . . . 0.0 110.11 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.28 -35.91 81.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.0 110.081 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -66.68 -43.55 84.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.399 -0.813 . . . . 0.0 109.97 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.88 66.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.403 -0.811 . . . . 0.0 110.028 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 15' ' ' ALA . 16.0 mt -66.02 -14.47 61.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.28 -0.888 . . . . 0.0 110.321 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.74 ' O ' HG22 ' A' ' 27' ' ' ILE . 89.7 m-85 -130.79 36.87 3.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.201 -0.937 . . . . 0.0 110.594 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 20' ' ' ASP . 6.1 p30 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.945 . . . . 0.0 110.402 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -151.31 144.5 24.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.318 -1.107 . . . . 0.0 110.213 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.74 HG22 ' O ' ' A' ' 19' ' ' PHE . 45.1 pt -121.24 156.09 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 110.169 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.5 m -84.41 159.96 20.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.348 -0.845 . . . . 0.0 110.258 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -60.28 -25.77 65.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.408 -0.808 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.6 m -66.24 -40.54 90.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.846 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.1 mt-10 -82.34 -13.63 56.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.414 -0.804 . . . . 0.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 63' ' ' ILE . 36.9 tp -57.94 -50.14 74.39 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.181 -0.949 . . . . 0.0 110.385 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.15 74.15 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.388 -0.82 . . . . 0.0 110.344 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 m -67.66 -35.81 79.56 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.334 -0.854 . . . . 0.0 110.039 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 31' ' ' GLU . 72.0 t -62.55 -41.07 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.9 mtt -66.59 -39.02 88.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.401 -0.812 . . . . 0.0 110.017 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -62.76 -31.74 72.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.338 -0.851 . . . . 0.0 110.058 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -35.17 56.97 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.394 -0.816 . . . . 0.0 110.143 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.16 -21.02 64.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.321 -0.862 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.26 35.83 0.91 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.8 mt -123.3 174.11 7.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.388 -1.066 . . . . 0.0 110.197 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -167.2 64.77 0.75 Allowed Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.382 -0.823 . . . . 0.0 110.074 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.28 136.96 25.13 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.797 1.42 . . . . 0.0 110.498 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.631 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.4 m -65.95 179.27 0.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.426 -0.796 . . . . 0.0 110.06 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.3 -28.5 70.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.259 -0.901 . . . . 0.0 109.945 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.05 -43.27 75.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.403 -0.811 . . . . 0.0 110.108 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.96 -34.25 73.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.388 -0.82 . . . . 0.0 109.883 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 44' ' ' SER . 57.4 t -70.53 -38.23 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.486 -0.759 . . . . 0.0 109.835 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -64.03 -40.98 97.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.408 -0.808 . . . . 0.0 109.832 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.93 -49.57 75.63 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.478 -0.764 . . . . 0.0 110.024 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.58 -43.47 98.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.34 -0.85 . . . . 0.0 109.871 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.9 mtt -68.06 -29.18 68.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.465 -0.772 . . . . 0.0 109.869 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -65.59 -37.75 87.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.402 -0.811 . . . . 0.0 109.963 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -73.05 -39.64 65.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.383 -0.823 . . . . 0.0 109.922 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.473 HD11 HD13 ' A' ' 71' ' ' LEU . 14.2 mt -75.59 -62.99 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.487 -0.758 . . . . 0.0 109.852 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.385 -0.822 . . . . 0.0 110.15 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 121.131 0.491 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.709 ' CD1' HD22 ' A' ' 32' ' ' LEU . 72.4 mt -79.94 112.27 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.281 -0.887 . . . . 0.0 110.307 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.87 160.19 20.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.426 -0.796 . . . . 0.0 109.862 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.3 t80 -53.7 -27.85 30.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.313 -0.867 . . . . 0.0 110.488 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.9 p -71.71 -51.69 21.64 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.336 -0.853 . . . . 0.0 110.02 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.12 -34.16 77.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.438 -0.789 . . . . 0.0 110.056 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.48 -48.45 72.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.337 -0.852 . . . . 0.0 110.217 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.732 HD11 ' CE2' ' A' ' 65' ' ' PHE . 43.8 mt -60.46 -35.64 76.33 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.305 -0.872 . . . . 0.0 110.112 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.97 -48.95 56.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.352 -0.843 . . . . 0.0 110.107 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.473 HD13 HD11 ' A' ' 55' ' ' ILE . 30.5 mt -62.98 -36.33 83.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.394 -0.817 . . . . 0.0 109.997 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.596 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 81.1 mmm -65.43 -42.37 92.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.493 -0.754 . . . . 0.0 110.093 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.344 -0.848 . . . . 0.0 110.176 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.277 0.561 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.61 -46.28 90.87 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.298 -0.877 . . . . 0.0 110.114 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.26 -50.02 71.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 109.994 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -32.85 73.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.405 -0.81 . . . . 0.0 110.062 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.99 -38.45 82.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.337 -0.852 . . . . 0.0 110.005 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 91' ' ' VAL . 29.6 mt-10 -63.27 -45.72 90.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.347 -0.846 . . . . 0.0 110.06 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.26 90.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.355 -0.841 . . . . 0.0 110.116 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.66 ' HB3' HD13 ' A' ' 137' ' ' ILE . 7.6 m-85 -63.58 -38.3 90.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.841 . . . . 0.0 110.167 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -33.46 73.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.307 -0.87 . . . . 0.0 110.154 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 87' ' ' GLU . 66.8 t -70.96 -42.18 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.289 -0.882 . . . . 0.0 110.024 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CD2' HG22 ' A' ' 108' ' ' VAL . 8.7 m-85 -65.48 -27.34 68.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.311 -0.868 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.43 176.53 6.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.338 -0.851 . . . . 0.0 110.232 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -89.52 -72.22 0.57 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.336 -0.852 . . . . 0.0 110.244 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -99.54 -73.04 0.64 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.352 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.82 36.85 0.12 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -81.49 -44.12 17.85 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -1.041 . . . . 0.0 110.24 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.58 37.73 8.59 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.3 mt -129.04 102.84 6.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.348 -1.09 . . . . 0.0 110.189 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.6 pt -125.83 160.15 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.372 -0.83 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -79.86 160.4 26.09 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.423 -0.798 . . . . 0.0 110.195 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.48 -28.77 21.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.35 -0.844 . . . . 0.0 110.488 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.79 -53.02 45.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.349 -0.844 . . . . 0.0 110.033 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.807 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.9 mt-10 -62.43 -29.4 70.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.41 -0.806 . . . . 0.0 109.918 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.804 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -69.27 -44.54 71.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.398 -0.814 . . . . 0.0 110.112 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -41.51 98.55 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.4 -0.813 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -63.46 -38.35 90.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -0.814 . . . . 0.0 110.161 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 104' ' ' GLU . 85.6 t -65.43 -44.35 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.36 -0.837 . . . . 0.0 110.028 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 mp -62.25 -29.8 70.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.062 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.7 m -74.51 -43.37 56.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 110.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -42.96 99.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.347 -0.846 . . . . 0.0 110.122 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.05 -23.08 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.424 -0.798 . . . . 0.0 110.145 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.2 23.36 44.8 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.36 105.08 6.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.32 -1.106 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -73.24 63.85 0.75 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.323 -0.86 . . . . 0.0 110.148 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 120' ' ' GLU . 6.2 mt -89.68 149.7 22.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.893 . . . . 0.0 110.173 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.0 p -87.89 159.16 18.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.323 -0.861 . . . . 0.0 110.18 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.53 -25.26 64.36 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.356 -0.84 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.19 -34.98 77.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.361 -0.837 . . . . 0.0 110.147 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HB3' HD22 ' A' ' 116' ' ' LEU . 16.4 mm-40 -69.76 -52.98 20.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.331 -0.855 . . . . 0.0 110.086 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.74 -25.55 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.383 -0.823 . . . . 0.0 110.026 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.99 -44.32 48.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.376 -0.827 . . . . 0.0 110.067 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -26.64 61.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.06 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.586 ' HE1' HD21 ' A' ' 144' ' ' LEU . 3.9 mtp -79.71 -36.14 37.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.317 -0.864 . . . . 0.0 110.236 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.25 -40.51 77.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.391 -0.818 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -65.92 -36.78 84.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 110.281 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -80.09 -30.19 39.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.323 -0.861 . . . . 0.0 110.528 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 124' ' ' MET . 57.5 t -92.45 -59.16 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.312 -0.868 . . . . 0.0 110.348 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 t -57.91 115.04 2.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.345 -0.847 . . . . 0.0 110.38 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -167.89 32.73 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.457 -0.777 . . . . 0.0 110.194 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -125.85 -98.97 1.14 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.6 t -120.48 -72.07 0.71 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -1.069 . . . . 0.0 110.176 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.77 29.41 0.55 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -137.82 158.9 43.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.427 -1.043 . . . . 0.0 110.273 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.457 HG23 HG12 ' A' ' 128' ' ' VAL . 83.0 mt -133.54 149.14 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.408 -0.807 . . . . 0.0 110.133 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -88.6 125.47 34.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.316 -0.865 . . . . 0.0 110.223 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.66 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.5 pt -67.26 -19.0 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.425 -0.797 . . . . 0.0 110.379 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -68.1 -51.08 50.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.222 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -62.72 -36.28 82.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.326 -0.859 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.804 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -70.92 -41.74 70.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.843 . . . . 0.0 110.117 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.46 74.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.4 -0.812 . . . . 0.0 110.152 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.44 -27.65 41.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.334 -0.854 . . . . 0.0 110.173 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.9 mt -71.29 -36.26 71.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.369 -0.832 . . . . 0.0 110.124 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.586 HD21 ' HE1' ' A' ' 124' ' ' MET . 92.7 mt -77.51 -27.23 51.7 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.448 -0.782 . . . . 0.0 110.182 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 64.2 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.342 -0.849 . . . . 0.0 110.197 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.159 0.504 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -62.51 -36.91 84.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.846 . . . . 0.0 110.192 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.93 -41.9 86.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.264 -0.897 . . . . 0.0 110.071 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 14.4 mm-40 -68.67 -43.68 75.64 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.425 -0.797 . . . . 0.0 110.062 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.5 mt -66.72 -32.57 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.34 -34.64 72.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.37 -0.831 . . . . 0.0 110.128 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -67.35 -45.57 75.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.096 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 23.9 m-85 -63.17 -41.4 99.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 109.995 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.5 ttmt -59.26 -38.89 81.2 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.407 -0.808 . . . . 0.0 110.207 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.08 -53.66 46.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.328 -0.858 . . . . 0.0 110.097 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.46 -34.87 78.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.38 -0.825 . . . . 0.0 110.242 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -69.31 -40.46 77.63 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.337 -0.852 . . . . 0.0 110.149 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.01 73.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.446 -0.784 . . . . 0.0 110.145 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.71 -39.74 94.98 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 110.102 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -101.78 25.04 9.03 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.409 -0.807 . . . . 0.0 110.152 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.409 -0.807 . . . . 0.0 110.113 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -159.88 139.64 11.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.287 -1.125 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -125.16 158.84 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.86 . . . . 0.0 110.158 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.9 m -80.84 158.52 25.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 110.18 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -62.27 -27.18 68.84 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.386 -0.821 . . . . 0.0 110.317 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -64.34 -41.82 96.58 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.323 -0.86 . . . . 0.0 110.16 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.823 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.7 mt-10 -78.49 -15.65 58.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.289 -0.882 . . . . 0.0 110.472 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.6 tp -54.18 -55.15 30.72 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.257 -0.902 . . . . 0.0 110.55 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.55 79.38 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.273 -0.892 . . . . 0.0 110.204 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.1 m -63.56 -39.64 94.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.381 -0.824 . . . . 0.0 110.014 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 31' ' ' GLU . 84.7 t -62.2 -43.87 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.431 -0.793 . . . . 0.0 109.968 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.3 mtt -62.77 -31.43 72.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.497 -0.752 . . . . 0.0 109.948 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -69.57 -38.62 77.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.427 -0.796 . . . . 0.0 110.242 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -34.09 62.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.35 -0.844 . . . . 0.0 110.294 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.1 mt -60.97 -25.06 66.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.317 -0.864 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.95 33.23 1.56 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.2 mt -123.3 -177.24 3.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.407 -1.055 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t -168.05 68.45 0.81 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.41 -0.807 . . . . 0.0 110.22 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.64 137.29 24.78 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.749 1.394 . . . . 0.0 110.264 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.8 167.06 2.97 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.267 -0.895 . . . . 0.0 110.144 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -27.72 63.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 110.117 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.43 66.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.436 -0.79 . . . . 0.0 109.912 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.69 -37.32 86.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.357 -0.84 . . . . 0.0 109.997 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.05 -44.4 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.387 -0.82 . . . . 0.0 109.914 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -32.13 72.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.315 -0.865 . . . . 0.0 110.03 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -67.68 -50.62 56.82 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.38 -0.825 . . . . 0.0 109.933 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.84 -40.28 96.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.398 -0.814 . . . . 0.0 109.885 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mtt -66.81 -35.39 79.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.401 -0.812 . . . . 0.0 110.026 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -62.65 -40.81 98.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.39 -0.819 . . . . 0.0 109.92 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.6 -36.75 83.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.443 -0.786 . . . . 0.0 109.832 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.57 HD11 HD13 ' A' ' 71' ' ' LEU . 9.8 mt -80.14 -58.83 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.454 -0.779 . . . . 0.0 109.992 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.397 -0.814 . . . . 0.0 110.376 -179.777 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.136 0.493 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.42 ' CD1' HD13 ' A' ' 55' ' ' ILE . 82.7 mt -95.75 111.1 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.36 -0.838 . . . . 0.0 110.335 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.29 160.15 24.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.481 -0.762 . . . . 0.0 109.924 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.529 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.6 t80 -56.79 -28.68 61.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.27 -0.894 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -52.63 26.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.427 -0.796 . . . . 0.0 110.041 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' O ' HD12 ' A' ' 71' ' ' LEU . 7.6 mm-40 -65.78 -35.14 79.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.382 -0.824 . . . . 0.0 109.98 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.47 -51.72 67.52 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.393 -0.817 . . . . 0.0 109.935 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 65' ' ' PHE . 52.1 mt -56.76 -41.11 77.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.842 . . . . 0.0 110.075 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.31 -49.18 58.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.442 -0.786 . . . . 0.0 109.911 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.57 HD13 HD11 ' A' ' 55' ' ' ILE . 6.5 mt -62.39 -33.91 75.69 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.438 -0.789 . . . . 0.0 110.029 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.405 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 76.3 mmm -70.56 -44.03 68.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.428 -0.795 . . . . 0.0 110.039 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 110.006 179.79 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.134 0.492 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -57.11 -37.54 72.1 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.389 -0.819 . . . . 0.0 110.22 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.39 -45.0 95.12 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.328 -0.858 . . . . 0.0 109.978 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 144' ' ' LEU . 0.6 OUTLIER -62.52 -42.36 99.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 109.917 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.85 -35.84 77.61 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.83 . . . . 0.0 109.874 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -50.79 70.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.368 -0.833 . . . . 0.0 109.908 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.42 94.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 110.011 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.731 ' HB3' HG21 ' A' ' 137' ' ' ILE . 10.1 m-85 -61.45 -33.46 73.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.418 -0.801 . . . . 0.0 110.064 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -43.24 90.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.423 -0.798 . . . . 0.0 110.076 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.09 -38.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.348 -0.845 . . . . 0.0 109.965 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.439 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 7.0 m-85 -68.28 -26.93 65.9 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.403 -0.811 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -78.31 152.33 32.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.905 . . . . 0.0 110.16 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.17 -52.94 3.03 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.375 -0.828 . . . . 0.0 110.217 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -64.13 -35.58 81.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.873 . . . . 0.0 110.144 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.5 48.6 3.43 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.91 20.32 6.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -1.054 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.23 47.95 88.3 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 99' ' ' LEU . 20.0 mt -141.76 110.69 6.22 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -1.129 . . . . 0.0 110.247 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.429 HD11 HD12 ' A' ' 105' ' ' LEU . 35.9 pt -132.39 160.14 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.387 -0.821 . . . . 0.0 110.191 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -79.81 160.32 26.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.395 -0.815 . . . . 0.0 110.315 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.39 -34.53 48.42 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.376 -0.827 . . . . 0.0 110.437 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.15 -53.01 61.44 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.412 -0.805 . . . . 0.0 110.061 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 108' ' ' VAL . 53.2 mt-10 -62.36 -32.65 73.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.33 -0.856 . . . . 0.0 109.974 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.728 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -69.05 -43.41 74.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.419 -0.801 . . . . 0.0 110.164 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -61.27 -38.35 86.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.319 -0.863 . . . . 0.0 110.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -68.89 -33.07 73.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 110.052 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 104' ' ' GLU . 79.8 t -72.53 -44.56 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.389 -0.819 . . . . 0.0 109.942 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.66 -33.64 74.31 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.414 -0.804 . . . . 0.0 110.155 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.0 m -79.57 -30.09 41.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.301 -0.875 . . . . 0.0 110.2 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -73.59 -40.84 63.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.341 -0.849 . . . . 0.0 110.181 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.2 mt -62.49 -26.27 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.344 -0.848 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.38 29.15 31.09 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.74 142.73 54.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.403 -1.057 . . . . 0.0 110.106 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -80.2 62.88 4.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -0.865 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.2 mt -124.96 131.23 53.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 0.0 110.236 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.2 p -84.26 -166.97 1.59 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.394 -0.816 . . . . 0.0 110.203 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.4 -33.69 42.46 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.361 -0.837 . . . . 0.0 110.122 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.47 98.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.388 -0.82 . . . . 0.0 110.108 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.48 -51.42 67.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.4 HG12 HD12 ' A' ' 125' ' ' LEU . 64.6 t -60.34 -26.85 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.41 -0.806 . . . . 0.0 110.104 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.5 -47.14 67.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 110.077 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -68.22 -32.51 72.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.355 -0.841 . . . . 0.0 110.15 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 128' ' ' VAL . 6.4 mtp -77.01 -28.62 55.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.379 -0.826 . . . . 0.0 110.169 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.4 HD12 HG12 ' A' ' 121' ' ' VAL . 5.3 mt -70.19 -45.19 67.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -68.04 -30.69 69.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.338 -0.851 . . . . 0.0 110.308 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -80.07 -27.34 39.35 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.326 -0.859 . . . . 0.0 110.236 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.627 HG12 HG23 ' A' ' 135' ' ' ILE . 65.5 t -95.98 -37.64 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.264 -0.898 . . . . 0.0 110.237 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.5 t -61.08 114.77 3.29 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.396 -0.815 . . . . 0.0 110.204 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -100.33 -44.94 5.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.348 -0.845 . . . . 0.0 110.335 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 132' ' ' SER . . . -117.86 9.96 14.05 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 131' ' ' GLY . 1.3 t 68.76 -3.42 1.43 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.353 -1.086 . . . . 0.0 111.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -88.36 -112.16 1.13 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -85.67 153.17 22.54 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.419 -1.048 . . . . 0.0 110.312 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.627 HG23 HG12 ' A' ' 128' ' ' VAL . 86.1 mt -116.18 148.43 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.427 -0.795 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.26 118.96 28.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.336 -0.853 . . . . 0.0 110.193 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.731 HG21 ' HB3' ' A' ' 89' ' ' PHE . 24.2 pt -61.63 -18.92 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.432 -0.793 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -56.49 21.14 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.206 -0.934 . . . . 0.0 110.341 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -63.61 -40.95 98.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.306 -0.872 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.728 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.91 -36.73 84.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.277 -0.889 . . . . 0.0 110.132 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -70.43 -27.62 64.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 110.223 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.69 -38.5 64.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.316 -0.865 . . . . 0.0 110.179 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.08 -34.79 68.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.335 -0.853 . . . . 0.0 110.219 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 85' ' ' LEU . 91.9 mt -79.98 -10.28 59.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.85 . . . . 0.0 110.598 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.184 -0.948 . . . . 0.0 110.299 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 9' ' ' ILE . 18.4 p . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.148 0.499 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.47 -39.96 85.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.386 -0.821 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.84 -46.42 81.98 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.41 -0.806 . . . . 0.0 110.015 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.403 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 93.6 mt-30 -67.12 -41.49 86.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.327 -0.858 . . . . 0.0 110.072 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 5' ' ' THR . 40.3 mt -67.03 -32.88 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.397 -0.815 . . . . 0.0 109.914 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.58 73.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.39 -0.819 . . . . 0.0 109.935 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.0 -50.96 52.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.394 -0.816 . . . . 0.0 110.092 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.1 m-85 -60.48 -38.76 85.27 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.391 -0.818 . . . . 0.0 109.986 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -60.5 -39.83 89.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.389 -0.82 . . . . 0.0 110.039 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -61.89 -50.08 73.64 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.405 -0.809 . . . . 0.0 109.972 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -70.14 -27.72 64.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.399 -0.813 . . . . 0.0 110.004 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.736 ' CE1' HG23 ' A' ' 27' ' ' ILE . 7.4 t80 -75.72 -43.16 48.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.35 -0.844 . . . . 0.0 110.037 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.19 -29.75 69.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.374 -0.829 . . . . 0.0 110.104 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 15' ' ' ALA . 17.5 mt -62.01 -41.37 97.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.304 -0.873 . . . . 0.0 110.178 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -90.7 -28.85 18.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.372 -0.83 . . . . 0.0 110.241 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.329 -0.857 . . . . 0.0 109.947 179.829 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 p -134.44 145.34 48.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -1.09 . . . . 0.0 110.226 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.736 HG23 ' CE1' ' A' ' 16' ' ' PHE . 44.4 pt -119.57 158.18 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.364 -0.835 . . . . 0.0 110.223 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -81.59 160.13 23.89 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -65.59 -27.46 68.43 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.356 -0.84 . . . . 0.0 110.188 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.6 t -61.53 -30.87 70.91 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.289 -0.882 . . . . 0.0 110.159 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 26.1 mt-10 -93.11 -16.23 25.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.413 -0.804 . . . . 0.0 110.356 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD22 ' CD1' ' A' ' 63' ' ' ILE . 67.7 tp -53.58 -53.57 49.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.231 -0.918 . . . . 0.0 110.452 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.569 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -59.11 -40.23 84.72 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 110.224 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.1 m -68.98 -38.3 79.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.295 -0.878 . . . . 0.0 110.079 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.4 t -62.58 -36.62 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.379 -0.825 . . . . 0.0 109.795 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 42.4 mtt -69.45 -37.15 77.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.361 -0.837 . . . . 0.0 109.788 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -65.87 -36.25 82.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.422 -0.799 . . . . 0.0 110.113 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -69.25 -37.76 78.1 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.367 -0.833 . . . . 0.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.8 mt -63.92 -27.33 69.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.365 -0.834 . . . . 0.0 110.2 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.34 40.08 0.31 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.5 mt -128.55 176.37 7.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.307 -1.114 . . . . 0.0 110.132 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -167.23 63.7 0.7 Allowed Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.349 -0.844 . . . . 0.0 110.192 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.9 137.99 25.26 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 O-C-N 123.771 1.406 . . . . 0.0 110.431 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.73 171.33 1.19 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.428 -0.795 . . . . 0.0 110.178 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -59.69 -27.47 66.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.32 -0.862 . . . . 0.0 110.179 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.63 76.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.338 -0.851 . . . . 0.0 110.052 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -41.49 95.41 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.402 -0.812 . . . . 0.0 110.066 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 33' ' ' ALA . 60.4 t -62.59 -38.67 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.366 -0.834 . . . . 0.0 109.913 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -62.74 -40.84 98.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.364 -0.835 . . . . 0.0 110.029 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.92 -48.75 79.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.41 -0.806 . . . . 0.0 110.091 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.37 -38.79 88.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.347 -0.845 . . . . 0.0 110.002 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.4 mtt -69.71 -29.76 67.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.0 110.014 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -67.45 -39.22 85.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 110.097 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -72.36 -35.65 68.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.412 -0.805 . . . . 0.0 110.06 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.531 HD11 HD13 ' A' ' 71' ' ' LEU . 4.8 mt -83.04 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.454 -0.779 . . . . 0.0 109.996 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.326 -0.859 . . . . 0.0 110.518 -179.793 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.196 0.522 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.496 ' CD1' HD22 ' A' ' 32' ' ' LEU . 71.9 mt -89.1 121.68 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.279 -0.888 . . . . 0.0 110.317 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -92.77 160.16 15.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 109.982 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.674 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.8 t80 -55.92 -29.32 59.89 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.365 -0.834 . . . . 0.0 110.357 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -68.84 -54.02 18.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.331 -0.856 . . . . 0.0 110.003 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -66.39 -34.84 78.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.319 -0.863 . . . . 0.0 110.041 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.59 -48.89 77.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 110.033 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.674 HD11 ' CE2' ' A' ' 65' ' ' PHE . 47.4 mt -59.46 -39.84 84.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.289 -0.882 . . . . 0.0 110.196 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.72 77.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 110.048 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.531 HD13 HD11 ' A' ' 55' ' ' ILE . 13.0 mt -61.1 -42.89 99.35 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.354 -0.841 . . . . 0.0 110.026 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.0 mmm -63.01 -35.28 79.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.967 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.418 -0.801 . . . . 0.0 110.185 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 121.075 0.464 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.47 -31.39 70.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.415 -0.803 . . . . 0.0 109.943 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.69 -43.05 90.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.47 -0.768 . . . . 0.0 110.041 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.425 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -65.03 -43.64 91.71 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.997 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.51 -32.67 74.2 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.412 -0.805 . . . . 0.0 109.988 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.4 tp10 -66.28 -47.02 75.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.841 . . . . 0.0 109.992 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.86 -45.6 91.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.322 -0.861 . . . . 0.0 110.086 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HB3' HD13 ' A' ' 137' ' ' ILE . 9.5 m-85 -61.66 -33.76 74.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.307 -0.871 . . . . 0.0 110.094 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -41.54 92.54 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.374 -0.829 . . . . 0.0 110.056 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 87' ' ' GLU . 57.7 t -65.36 -33.82 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.354 -0.841 . . . . 0.0 110.0 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -74.87 -27.93 60.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.185 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.77 176.09 9.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.335 -0.853 . . . . 0.0 110.206 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -149.21 50.09 0.97 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.815 . . . . 0.0 110.226 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -166.61 -62.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.404 -0.81 . . . . 0.0 110.157 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.83 -26.89 2.48 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.49 -32.35 71.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -1.071 . . . . 0.0 110.29 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.94 62.13 1.25 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 37.4 mt -136.18 127.04 27.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.344 -1.092 . . . . 0.0 110.162 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 pt -138.77 160.23 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.324 -0.86 . . . . 0.0 110.218 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.8 m -79.77 160.28 26.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.373 -0.829 . . . . 0.0 110.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.86 -34.14 53.02 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.402 -0.811 . . . . 0.0 110.482 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.64 -57.43 11.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.251 -0.906 . . . . 0.0 110.12 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.0 mm-40 -59.4 -28.49 66.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.363 -0.836 . . . . 0.0 110.004 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.932 HD21 ' CE2' ' A' ' 140' ' ' PHE . 16.2 tp -68.77 -46.54 68.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.418 -0.801 . . . . 0.0 110.07 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -65.37 -28.77 69.51 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.42 -43.34 77.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.134 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.731 HG12 HD11 ' A' ' 112' ' ' ILE . 68.5 t -65.88 -41.95 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.299 -0.875 . . . . 0.0 110.002 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 140' ' ' PHE . 1.6 mt -60.69 -35.68 76.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.364 -0.835 . . . . 0.0 110.222 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.4 m -79.97 -30.36 39.74 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.458 -0.776 . . . . 0.0 110.149 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.8 t -74.54 -42.61 58.54 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.282 -0.886 . . . . 0.0 110.162 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.731 HD11 HG12 ' A' ' 108' ' ' VAL . 66.2 mt -60.3 -25.22 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.335 -0.853 . . . . 0.0 110.213 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.84 27.2 38.86 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.03 -16.99 62.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.368 -1.078 . . . . 0.0 110.201 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt 54.93 44.91 27.55 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.271 -0.893 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.12 118.47 31.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.364 -0.835 . . . . 0.0 110.176 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -59.74 166.09 2.75 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.415 -0.803 . . . . 0.0 110.233 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.12 -29.55 69.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.293 -0.88 . . . . 0.0 110.191 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.28 -46.42 88.88 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.342 -0.849 . . . . 0.0 110.052 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.69 -51.86 65.56 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.356 -0.84 . . . . 0.0 110.155 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.61 -27.26 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.37 -0.832 . . . . 0.0 109.955 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.37 -48.9 25.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.332 -0.855 . . . . 0.0 109.981 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.44 -29.23 69.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.1 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.421 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 2.9 mtp -75.6 -37.5 59.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.425 -0.797 . . . . 0.0 110.001 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.49 -32.62 73.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.398 -0.814 . . . . 0.0 110.095 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -39.14 93.57 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.364 -0.835 . . . . 0.0 110.201 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -80.3 -33.19 37.83 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.298 -0.876 . . . . 0.0 110.395 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.58 HG12 HG23 ' A' ' 135' ' ' ILE . 57.4 t -87.53 -60.95 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.869 . . . . 0.0 110.254 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 t -56.92 107.64 0.42 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.353 -0.842 . . . . 0.0 110.412 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -167.63 32.12 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.428 -0.795 . . . . 0.0 110.176 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.9 -104.96 1.98 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -41.25 3.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.346 -1.09 . . . . 0.0 110.275 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -179.41 -38.0 0.07 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 153.7 28.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.356 -1.085 . . . . 0.0 110.112 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.58 HG23 HG12 ' A' ' 128' ' ' VAL . 79.9 mt -121.22 144.76 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.372 -0.83 . . . . 0.0 110.107 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -85.44 130.85 34.49 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.381 -0.825 . . . . 0.0 110.166 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 89' ' ' PHE . 18.6 pt -70.08 -21.24 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.356 -0.84 . . . . 0.0 110.483 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -51.89 67.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.927 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -64.01 -38.41 90.96 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.391 -0.818 . . . . 0.0 110.143 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.932 ' CE2' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -69.84 -41.35 75.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.045 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.67 69.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.867 . . . . 0.0 110.116 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.15 -40.5 59.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.298 -0.876 . . . . 0.0 110.114 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.88 -32.48 74.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.352 -0.842 . . . . 0.0 110.092 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.02 -29.45 39.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -0.834 . . . . 0.0 110.201 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.378 -0.826 . . . . 0.0 110.227 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.169 0.509 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.99 -40.1 92.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.412 -0.805 . . . . 0.0 110.199 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -61.93 -47.79 83.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.128 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -61.62 -43.75 98.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.344 -0.848 . . . . 0.0 110.173 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.25 -31.95 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.408 -0.807 . . . . 0.0 109.98 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.0 89.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.332 -0.855 . . . . 0.0 110.008 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.21 -48.4 65.28 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.325 -0.859 . . . . 0.0 110.126 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -62.57 -38.18 89.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 0.0 110.025 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 2.9 ttmm -62.59 -39.94 95.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.232 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.48 -49.14 76.57 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.322 -0.861 . . . . 0.0 110.201 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.47 -27.19 65.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 0.0 110.128 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.711 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.0 t80 -74.96 -46.85 32.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.21 -0.932 . . . . 0.0 110.172 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.57 -24.76 64.64 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.413 -0.804 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 18' ' ' LEU . 11.2 mt -63.11 -31.42 72.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.231 -0.918 . . . . 0.0 110.379 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -103.73 -27.7 12.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.31 -0.869 . . . . 0.0 110.41 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.27 -0.894 . . . . 0.0 109.971 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 p -148.42 148.62 30.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.31 -1.112 . . . . 0.0 110.177 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.711 HG23 ' CE1' ' A' ' 16' ' ' PHE . 46.1 pt -119.87 157.74 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.438 -0.788 . . . . 0.0 110.182 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -82.06 160.05 23.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.462 -0.774 . . . . 0.0 110.241 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -38.53 80.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.863 . . . . 0.0 110.339 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -55.79 -25.72 42.63 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -0.9 . . . . 0.0 110.349 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.812 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.2 mt-10 -95.05 -16.32 22.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.307 -0.871 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 63' ' ' ILE . 63.8 tp -58.5 -49.95 75.53 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.222 -0.924 . . . . 0.0 110.346 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.79 85.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.374 -0.829 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.5 m -68.47 -40.34 81.06 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.363 -0.836 . . . . 0.0 110.092 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.8 t -60.87 -34.37 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.83 . . . . 0.0 109.89 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.1 mtt -72.86 -34.72 66.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.436 -0.79 . . . . 0.0 109.798 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -65.32 -35.51 81.21 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.513 -0.742 . . . . 0.0 110.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.6 m -80.2 -33.24 38.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.421 -0.799 . . . . 0.0 110.229 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.5 -22.14 66.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.36 -0.838 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.67 31.2 1.68 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.4 mt -122.18 178.33 4.97 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.307 -1.113 . . . . 0.0 110.021 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 p -167.32 64.78 0.74 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.287 -0.883 . . . . 0.0 110.38 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.5 137.74 25.85 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 O-C-N 123.7 1.369 . . . . 0.0 110.417 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.6 m -61.98 172.81 1.24 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.388 -0.82 . . . . 0.0 110.113 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -27.65 68.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.383 -0.823 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.72 -43.43 75.96 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.832 . . . . 0.0 110.117 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -67.79 -36.38 80.34 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.351 -0.843 . . . . 0.0 109.965 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 44' ' ' SER . 67.1 t -67.71 -40.23 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.368 -0.832 . . . . 0.0 109.945 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -61.88 -41.4 97.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.376 -0.827 . . . . 0.0 110.055 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.89 -48.37 82.11 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.381 -0.825 . . . . 0.0 110.107 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 55' ' ' ILE . 4.5 mp -62.28 -44.19 97.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.402 -0.811 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mtt -67.86 -29.11 68.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -0.824 . . . . 0.0 109.952 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -66.44 -37.08 84.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.432 -0.792 . . . . 0.0 109.985 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -75.61 -31.39 59.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.402 -0.811 . . . . 0.0 109.921 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 51' ' ' LEU . 10.8 mt -87.26 -62.23 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.546 -0.721 . . . . 0.0 109.981 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.411 -0.806 . . . . 0.0 110.248 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.215 0.531 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.433 ' CD1' HD22 ' A' ' 32' ' ' LEU . 76.7 mt -82.17 131.3 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.412 -0.805 . . . . 0.0 110.306 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -94.23 160.11 14.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.391 -0.818 . . . . 0.0 110.046 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.638 ' CE2' HD11 ' A' ' 69' ' ' LEU . 22.8 t80 -57.49 -33.15 67.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.308 -0.87 . . . . 0.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.9 t -66.49 -54.2 26.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.399 -0.813 . . . . 0.0 110.075 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.69 -35.18 78.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.342 -0.849 . . . . 0.0 110.035 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -64.93 -45.4 85.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.34 -0.85 . . . . 0.0 110.129 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 65' ' ' PHE . 50.4 mt -59.63 -38.68 81.99 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.319 -0.863 . . . . 0.0 110.106 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.51 -50.79 41.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.432 -0.793 . . . . 0.0 109.971 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.36 -31.33 70.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.313 -0.867 . . . . 0.0 109.894 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.433 ' HB3' ' HE3' ' A' ' 72' ' ' MET . 73.4 mmm -70.19 -41.53 73.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 109.96 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.411 -0.806 . . . . 0.0 110.053 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.197 0.523 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.65 -43.15 99.55 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.349 -0.845 . . . . 0.0 110.112 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.81 -43.9 97.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.347 -0.846 . . . . 0.0 110.137 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -45.85 92.36 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.346 -0.846 . . . . 0.0 110.08 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.11 -29.96 71.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.335 -0.853 . . . . 0.0 109.997 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -46.27 62.4 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.41 -0.806 . . . . 0.0 109.993 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.94 -44.82 95.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.396 -0.815 . . . . 0.0 110.088 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.635 ' HB3' HD13 ' A' ' 137' ' ' ILE . 10.3 m-85 -63.39 -31.09 72.15 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.452 -0.78 . . . . 0.0 110.115 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -66.58 -42.61 86.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.359 -0.838 . . . . 0.0 110.203 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.53 -47.89 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.353 -0.842 . . . . 0.0 109.99 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.38 -27.37 68.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.334 -0.854 . . . . 0.0 110.205 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 95' ' ' ASN . 23.6 t0 -67.57 -30.32 69.91 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.316 -0.865 . . . . 0.0 110.187 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.93 -66.41 0.16 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.573 -0.704 . . . . 0.0 110.486 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ASP . 19.0 m120 -55.52 -70.1 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.272 -0.893 . . . . 0.0 110.348 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.47 -28.39 1.07 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -61.31 -58.91 6.33 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.371 -1.076 . . . . 0.0 110.193 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.0 50.9 0.19 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 81.6 mt -121.47 104.7 9.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.242 -1.152 . . . . 0.0 110.155 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.9 pt -126.14 159.77 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.351 -0.843 . . . . 0.0 110.306 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 t -79.89 160.3 26.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.25 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.9 -28.53 23.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.351 -0.843 . . . . 0.0 110.446 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.3 -53.07 49.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 0.0 110.108 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 108' ' ' VAL . 10.4 mt-10 -62.88 -33.14 74.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.419 -0.8 . . . . 0.0 110.108 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.803 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.1 tp -67.5 -40.29 85.2 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.359 -0.838 . . . . 0.0 109.97 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -68.23 -37.22 80.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.362 -0.836 . . . . 0.0 110.258 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -67.44 -31.48 71.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.376 -0.828 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 104' ' ' GLU . 98.6 t -74.95 -39.08 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.388 -0.82 . . . . 0.0 110.14 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.7 -40.83 98.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.397 -0.815 . . . . 0.0 110.234 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.5 m -71.63 -32.39 67.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -68.14 -43.97 77.11 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.31 -0.869 . . . . 0.0 110.211 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.89 -29.38 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.395 -0.815 . . . . 0.0 109.971 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.88 27.09 22.6 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.39 150.1 42.02 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.325 -1.103 . . . . 0.0 110.123 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 64.53 3.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.423 -0.798 . . . . 0.0 110.26 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.655 HD11 HD22 ' A' ' 144' ' ' LEU . 59.5 mt -112.36 104.37 12.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.0 110.121 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.0 p -58.87 166.23 2.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.0 110.344 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.87 -29.63 70.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.386 -0.821 . . . . 0.0 110.14 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.93 96.73 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.423 -0.798 . . . . 0.0 110.111 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -65.4 -51.94 56.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.39 -0.819 . . . . 0.0 110.067 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.621 HG12 ' CD1' ' A' ' 125' ' ' LEU . 88.8 t -62.66 -28.37 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 109.94 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.16 -44.28 76.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.329 -0.857 . . . . 0.0 110.004 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.89 -29.13 68.16 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.364 -0.835 . . . . 0.0 109.95 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.492 ' HE2' ' CZ ' ' A' ' 140' ' ' PHE . 0.3 OUTLIER -79.28 -35.1 41.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.386 -0.821 . . . . 0.0 110.032 179.836 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.621 ' CD1' HG12 ' A' ' 121' ' ' VAL . 57.1 mt -71.43 -26.28 62.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.416 -0.803 . . . . 0.0 110.158 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -69.53 -37.97 77.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.078 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -80.08 -29.87 39.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 110.189 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.667 ' CG1' HG23 ' A' ' 135' ' ' ILE . 59.7 t -96.67 -61.16 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.348 -0.845 . . . . 0.0 110.267 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 t -72.56 -159.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.388 -0.82 . . . . 0.0 110.243 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.03 40.63 28.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.385 -0.822 . . . . 0.0 110.496 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -149.5 -48.6 0.02 OUTLIER Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 45.6 m -128.7 -42.24 1.45 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.084 . . . . 0.0 110.185 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 133.24 -52.77 0.81 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -87.0 135.2 33.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.349 -1.089 . . . . 0.0 110.16 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.667 HG23 ' CG1' ' A' ' 128' ' ' VAL . 88.7 mt -102.84 146.67 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.317 -0.864 . . . . 0.0 110.119 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -92.57 137.84 32.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.456 -0.778 . . . . 0.0 110.17 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.635 HD13 ' HB3' ' A' ' 89' ' ' PHE . 1.1 pt -76.81 -21.2 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.329 -0.857 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.55 -53.88 20.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.255 -0.903 . . . . 0.0 110.215 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.45 -40.44 97.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.388 -0.82 . . . . 0.0 110.147 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.803 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -66.94 -44.41 80.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.839 . . . . 0.0 110.093 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.01 -30.2 70.79 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.392 -0.817 . . . . 0.0 110.088 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.32 -33.81 63.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.354 -0.841 . . . . 0.0 110.053 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.487 HD13 ' HG2' ' A' ' 124' ' ' MET . 13.8 mt -69.16 -34.08 74.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.408 -0.808 . . . . 0.0 110.198 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.655 HD22 HD11 ' A' ' 116' ' ' LEU . 87.0 mt -73.66 -49.74 24.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.339 -0.85 . . . . 0.0 110.237 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.33 -0.856 . . . . 0.0 110.108 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.208 0.528 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -61.41 -37.38 83.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 110.297 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.15 -44.95 86.93 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.383 -0.823 . . . . 0.0 110.216 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 6.1 mt-30 -66.84 -42.34 85.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.446 -0.784 . . . . 0.0 110.225 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.58 -31.67 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.348 -0.845 . . . . 0.0 110.052 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.56 81.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.422 -0.799 . . . . 0.0 110.078 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -67.03 -48.43 68.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.323 -0.86 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.43 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 23.2 m-85 -60.82 -37.83 83.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.343 -0.848 . . . . 0.0 110.148 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -61.06 -43.14 99.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.319 -0.863 . . . . 0.0 110.204 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.31 -53.73 53.0 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.352 -0.842 . . . . 0.0 110.159 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -63.67 -37.28 86.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.299 -0.876 . . . . 0.0 110.149 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.9 t80 -68.05 -42.39 80.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.318 -0.864 . . . . 0.0 110.212 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -29.05 70.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 110.162 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 15' ' ' ALA . 22.6 mt -63.19 -30.98 72.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.297 -0.877 . . . . 0.0 110.169 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.666 ' O ' HG22 ' A' ' 27' ' ' ILE . 97.5 m-85 -114.98 25.12 11.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.403 -0.811 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.19 -0.944 . . . . 0.0 110.425 -179.85 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 p -160.32 105.09 1.47 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.423 -1.045 . . . . 0.0 110.105 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 19' ' ' PHE . 36.2 pt -109.16 149.23 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.136 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.33 158.54 26.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.407 -0.808 . . . . 0.0 110.174 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -60.78 -28.98 69.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.334 -0.853 . . . . 0.0 110.247 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -62.17 -28.38 69.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.357 -0.84 . . . . 0.0 110.221 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.831 ' O ' HG23 ' A' ' 35' ' ' VAL . 28.7 mt-10 -93.66 -14.84 25.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.338 -0.851 . . . . 0.0 110.397 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.557 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 56.5 tp -54.5 -51.62 64.51 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.242 -0.911 . . . . 0.0 110.354 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.67 85.69 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 110.157 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -67.77 -37.81 82.6 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.327 -0.858 . . . . 0.0 110.064 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 31' ' ' GLU . 91.8 t -63.43 -37.0 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.349 -0.844 . . . . 0.0 109.936 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.8 mtt -69.6 -35.79 75.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.404 -0.81 . . . . 0.0 109.98 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -66.1 -36.62 83.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.445 -0.785 . . . . 0.0 110.287 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -76.11 -30.86 58.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.355 -0.84 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.94 -23.18 63.16 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.339 -0.851 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.38 32.48 1.35 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.3 mt -123.36 176.3 6.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.313 -1.11 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -168.67 68.65 0.73 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.298 -0.876 . . . . 0.0 110.231 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.92 140.02 28.13 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.812 1.427 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.07 169.15 1.13 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.387 -0.82 . . . . 0.0 110.206 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.19 -29.79 68.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.36 -0.837 . . . . 0.0 110.214 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.46 -41.5 72.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.421 -0.8 . . . . 0.0 110.074 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.67 -39.73 94.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.314 -0.866 . . . . 0.0 109.861 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.34 -49.86 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.41 -0.806 . . . . 0.0 110.011 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -52.18 -43.72 64.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.328 -0.857 . . . . 0.0 110.392 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -58.01 -48.0 81.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.244 -0.91 . . . . 0.0 110.005 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.558 ' O ' HD12 ' A' ' 55' ' ' ILE . 5.6 mp -65.31 -50.67 64.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.339 -0.851 . . . . 0.0 109.882 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.557 ' HE3' ' HB3' ' A' ' 32' ' ' LEU . 1.3 mpt? -63.66 -26.97 68.91 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.397 -0.814 . . . . 0.0 110.23 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.92 -38.45 79.55 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.287 -0.883 . . . . 0.0 109.842 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.2 -32.16 55.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -0.842 . . . . 0.0 109.851 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 51' ' ' LEU . 6.6 mt -81.42 -62.8 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.508 -0.745 . . . . 0.0 109.809 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.394 -0.816 . . . . 0.0 110.305 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.096 0.474 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.6 mt -79.96 130.79 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.369 -0.832 . . . . 0.0 110.16 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -93.94 160.15 14.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.457 -0.777 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.605 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.9 t80 -56.54 -32.7 65.39 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.545 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -62.2 -60.08 4.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.293 -0.879 . . . . 0.0 110.08 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.31 -33.99 75.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.333 -0.854 . . . . 0.0 110.149 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.77 -48.93 79.57 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.414 -0.804 . . . . 0.0 109.987 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.605 HD11 ' CE2' ' A' ' 65' ' ' PHE . 37.6 mt -59.92 -39.82 86.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -0.848 . . . . 0.0 110.0 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.43 61.24 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.428 -0.795 . . . . 0.0 110.061 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.7 mt -62.6 -35.88 80.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.352 -0.843 . . . . 0.0 109.979 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.43 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 74.7 mmm -63.92 -44.35 93.16 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.803 . . . . 0.0 109.975 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.454 -0.779 . . . . 0.0 109.992 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.229 0.538 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.99 -38.94 80.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.276 -0.89 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.48 -32.18 72.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.273 -0.892 . . . . 0.0 110.028 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.88 -45.91 66.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.394 -0.816 . . . . 0.0 109.985 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.57 -28.2 69.47 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.97 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -69.76 -45.38 68.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.46 -0.775 . . . . 0.0 110.06 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.51 72.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.334 -0.854 . . . . 0.0 110.113 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.583 ' HB3' HG21 ' A' ' 137' ' ' ILE . 9.5 m-85 -61.3 -39.84 91.96 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.316 -0.865 . . . . 0.0 110.052 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -63.78 -41.15 98.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.353 -0.842 . . . . 0.0 109.992 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 87' ' ' GLU . 62.4 t -64.7 -31.6 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.438 -0.789 . . . . 0.0 110.031 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE2' HG22 ' A' ' 108' ' ' VAL . 5.8 m-85 -72.18 -32.91 67.27 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.408 -0.808 . . . . 0.0 110.161 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.5 167.68 2.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.33 -0.856 . . . . 0.0 109.985 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.39 -65.31 1.17 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 0.0 110.616 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.84 -78.47 0.11 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.349 -0.844 . . . . 0.0 110.46 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.57 -44.03 0.02 OUTLIER Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.0 124.97 20.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.341 -1.094 . . . . 0.0 110.107 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -72.45 64.35 1.4 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.4 mt -112.87 110.82 21.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.34 -1.094 . . . . 0.0 110.12 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.7 160.22 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.38 -0.825 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.87 160.25 26.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.328 -0.858 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.33 -26.46 18.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.353 -0.842 . . . . 0.0 110.442 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.44 -57.29 6.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.339 -0.851 . . . . 0.0 110.175 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.6 mt-10 -59.72 -26.81 65.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.326 -0.859 . . . . 0.0 110.174 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.854 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.3 tp -71.25 -45.34 63.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 110.127 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -63.95 -38.45 91.13 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.437 -0.789 . . . . 0.0 110.044 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -64.69 -41.76 95.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.318 -0.864 . . . . 0.0 110.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 104' ' ' GLU . 71.3 t -64.15 -41.71 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.305 -0.872 . . . . 0.0 110.025 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.61 -26.95 67.33 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.349 -0.844 . . . . 0.0 110.225 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.4 m -69.01 -45.34 70.76 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.3 -0.875 . . . . 0.0 110.14 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.6 m -61.09 -44.55 97.19 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.281 -0.887 . . . . 0.0 110.111 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.24 -19.89 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.335 -0.853 . . . . 0.0 110.231 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.68 15.99 60.72 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.77 106.34 2.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.23 -1.159 . . . . 0.0 109.928 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.8 63.85 0.46 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.384 -0.822 . . . . 0.0 110.28 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 52.8 mt -97.26 108.99 21.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 110.124 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.1 p -61.31 164.93 4.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.295 -0.878 . . . . 0.0 110.209 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -61.03 -32.38 71.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.447 -0.783 . . . . 0.0 110.2 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.51 97.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -0.875 . . . . 0.0 110.207 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.98 -52.62 40.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.356 -0.84 . . . . 0.0 110.088 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.437 HG12 ' CD1' ' A' ' 125' ' ' LEU . 67.7 t -61.14 -24.71 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.321 -0.862 . . . . 0.0 110.046 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.14 -47.94 39.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.255 -0.903 . . . . 0.0 110.122 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.78 -31.7 69.78 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.499 ' O ' HG23 ' A' ' 128' ' ' VAL . 5.3 ttp -80.04 -24.87 40.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 0.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.437 ' CD1' HG12 ' A' ' 121' ' ' VAL . 11.1 mt -74.08 -44.8 52.74 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 110.429 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -32.15 72.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.341 -0.85 . . . . 0.0 110.456 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -80.13 -20.7 44.38 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.314 -0.866 . . . . 0.0 110.562 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 124' ' ' MET . 72.5 t -103.88 -36.3 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.261 -0.899 . . . . 0.0 110.373 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.0 t -61.2 -82.45 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.295 -0.878 . . . . 0.0 110.391 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 51.12 25.99 2.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.215 -0.928 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.5 -95.1 0.65 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.8 t -146.95 -44.54 0.18 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -1.092 . . . . 0.0 110.323 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -170.03 -38.84 0.03 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.72 132.49 36.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.315 -1.109 . . . . 0.0 110.092 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.468 HG23 HG12 ' A' ' 128' ' ' VAL . 59.5 mt -121.45 157.77 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -0.874 . . . . 0.0 110.068 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -88.13 143.58 26.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.279 -0.888 . . . . 0.0 110.17 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.583 HG21 ' HB3' ' A' ' 89' ' ' PHE . 16.5 pt -78.93 -16.1 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.358 -0.839 . . . . 0.0 110.599 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -64.01 -56.84 12.17 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.209 -0.932 . . . . 0.0 110.426 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -60.43 -44.49 95.72 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.317 -0.864 . . . . 0.0 110.42 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.854 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -62.62 -44.73 95.54 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.48 -29.74 70.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 110.148 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.13 -35.72 36.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.422 -0.799 . . . . 0.0 110.197 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.25 -39.82 94.15 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.427 -0.796 . . . . 0.0 110.228 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.7 mt -75.79 -27.58 58.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.405 -0.81 . . . . 0.0 110.172 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.441 -0.787 . . . . 0.0 110.184 179.902 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.105 0.478 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -61.82 -28.46 69.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.288 -0.882 . . . . 0.0 110.249 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -71.91 -46.01 59.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 110.033 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 24.9 mm-40 -69.84 -40.99 75.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 109.92 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.78 -29.29 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.466 -0.771 . . . . 0.0 109.889 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.12 72.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.345 -0.847 . . . . 0.0 109.891 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.71 -46.9 83.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.472 -0.767 . . . . 0.0 110.076 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 26.1 m-85 -60.82 -38.22 84.7 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.365 -0.834 . . . . 0.0 109.986 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -60.2 -40.2 89.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.387 -0.82 . . . . 0.0 110.065 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.67 -49.57 74.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.393 -0.817 . . . . 0.0 110.067 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.84 64.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.334 -0.853 . . . . 0.0 110.134 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.718 ' CE1' HG23 ' A' ' 27' ' ' ILE . 10.5 t80 -75.02 -34.5 61.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.82 . . . . 0.0 110.149 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -30.08 61.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.376 -0.827 . . . . 0.0 110.065 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 18' ' ' LEU . 22.2 mt -62.8 -29.15 70.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.347 -0.845 . . . . 0.0 110.127 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -111.41 30.89 6.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.361 -0.837 . . . . 0.0 110.242 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.321 -0.862 . . . . 0.0 110.249 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -159.95 134.16 7.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.32 -1.106 . . . . 0.0 110.476 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.718 HG23 ' CE1' ' A' ' 16' ' ' PHE . 40.2 pt -118.54 159.24 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.369 -0.832 . . . . 0.0 110.14 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -81.92 159.42 23.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -64.01 -31.9 73.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.448 -0.782 . . . . 0.0 110.204 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.4 m -59.22 -28.44 66.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.376 -0.828 . . . . 0.0 110.207 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.815 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.3 mt-10 -92.6 -15.82 26.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.423 -0.798 . . . . 0.0 110.507 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 HD13 ' A' ' 55' ' ' ILE . 62.3 tp -55.75 -53.27 58.64 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.177 -0.952 . . . . 0.0 110.338 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.51 74.28 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.341 -0.849 . . . . 0.0 110.181 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.5 m -71.9 -39.92 69.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 0.0 109.993 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 31' ' ' GLU . 96.0 t -62.22 -33.73 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.844 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.0 mtt -74.73 -34.05 62.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 0.0 109.877 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -68.2 -31.55 71.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.446 -0.784 . . . . 0.0 110.083 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 m -79.77 -33.18 40.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.417 -0.802 . . . . 0.0 110.151 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.29 -24.9 68.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.424 -0.797 . . . . 0.0 110.292 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.97 35.22 0.97 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.3 mt -121.86 -178.42 3.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -1.135 . . . . 0.0 110.118 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.64 68.27 0.86 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.333 -0.854 . . . . 0.0 110.108 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.42 137.64 25.9 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 O-C-N 123.667 1.351 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.93 168.42 2.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -59.33 -28.23 66.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.305 -0.872 . . . . 0.0 110.083 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.73 -39.34 70.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.362 -0.836 . . . . 0.0 109.994 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.7 -40.1 88.35 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.382 -0.824 . . . . 0.0 110.022 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.0 -40.81 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.36 -0.838 . . . . 0.0 109.96 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -62.98 -38.71 92.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.364 -0.835 . . . . 0.0 110.074 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.89 -47.57 82.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.437 -0.79 . . . . 0.0 110.023 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 55' ' ' ILE . 9.8 mt -62.13 -45.68 92.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.016 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.5 mtt -66.16 -28.17 68.57 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.37 -0.831 . . . . 0.0 109.819 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -65.99 -40.18 90.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.468 -0.77 . . . . 0.0 109.86 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.429 ' OE1' HD21 ' A' ' 71' ' ' LEU . 9.9 tt0 -72.96 -31.36 64.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 109.981 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.469 HD13 HD22 ' A' ' 32' ' ' LEU . 17.8 mt -85.92 -60.07 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.394 -0.817 . . . . 0.0 109.97 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.379 -0.825 . . . . 0.0 110.206 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.16 0.505 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.8 mt -87.55 122.46 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.274 -0.891 . . . . 0.0 110.271 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.42 160.2 18.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 109.937 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.647 ' CE2' HD11 ' A' ' 69' ' ' LEU . 18.8 t80 -58.05 -25.77 61.63 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.292 -0.88 . . . . 0.0 110.418 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.0 t -72.24 -52.73 15.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.31 -0.869 . . . . 0.0 110.09 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -64.27 -33.03 74.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.432 -0.793 . . . . 0.0 110.003 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -64.45 -50.5 67.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.309 -0.87 . . . . 0.0 110.091 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.647 HD11 ' CE2' ' A' ' 65' ' ' PHE . 47.2 mt -59.79 -34.09 72.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.155 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.11 -47.16 59.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.435 -0.791 . . . . 0.0 110.077 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.429 HD21 ' OE1' ' A' ' 54' ' ' GLU . 4.6 mt -61.72 -39.93 93.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.363 -0.836 . . . . 0.0 110.066 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.445 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 88.0 mmm -65.21 -36.49 84.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 110.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.455 -0.778 . . . . 0.0 110.026 179.686 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.17 0.509 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -58.38 -27.36 64.17 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.331 -0.856 . . . . 0.0 110.144 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.74 -45.0 84.24 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.416 -0.802 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.56 -49.5 70.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.362 -0.836 . . . . 0.0 110.057 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.66 -30.71 70.07 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.341 -0.85 . . . . 0.0 110.019 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.0 tp10 -64.91 -46.88 79.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.491 -0.756 . . . . 0.0 110.089 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.49 93.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.333 -0.854 . . . . 0.0 110.071 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.649 ' HB3' HD13 ' A' ' 137' ' ' ILE . 9.9 m-85 -60.11 -28.82 68.16 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.384 -0.823 . . . . 0.0 110.213 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -73.63 -41.67 62.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.399 -0.813 . . . . 0.0 110.102 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 87' ' ' GLU . 61.2 t -60.47 -39.13 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.4 -0.813 . . . . 0.0 110.097 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD1' HG22 ' A' ' 108' ' ' VAL . 12.2 m-85 -70.69 -25.04 62.79 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.414 -0.803 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -66.74 146.67 54.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.333 -0.854 . . . . 0.0 110.287 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -60.03 -62.83 1.58 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 110.155 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -106.23 -153.05 0.48 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.35 -0.844 . . . . 0.0 110.055 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -90.98 47.56 2.94 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.92 -155.48 0.57 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -1.104 . . . . 0.0 110.162 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.54 55.38 0.61 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.9 mt -140.92 110.31 6.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -1.118 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.37 160.58 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.33 -0.856 . . . . 0.0 110.185 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 t -79.45 160.26 26.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 110.292 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.48 -32.32 49.63 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.422 -0.799 . . . . 0.0 110.494 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.96 65.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.385 -0.822 . . . . 0.0 109.97 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.9 mt-10 -63.19 -34.46 77.69 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.344 -0.848 . . . . 0.0 110.035 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.711 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -66.17 -39.36 89.69 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 0.0 110.139 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -67.36 -38.15 84.34 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.84 . . . . 0.0 110.132 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -69.47 -36.7 76.81 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.402 -0.811 . . . . 0.0 110.157 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 104' ' ' GLU . 80.3 t -67.27 -38.18 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.38 -0.825 . . . . 0.0 110.134 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.0 -37.97 78.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.412 -0.805 . . . . 0.0 110.067 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.5 m -80.03 -29.84 39.39 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.351 -0.843 . . . . 0.0 110.247 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -67.76 -42.68 81.38 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.327 -0.858 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.5 mt -62.24 -29.62 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.29 -0.881 . . . . 0.0 109.949 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.76 30.42 23.82 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.4 164.04 27.23 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.44 -1.035 . . . . 0.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 57.93 4.77 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.329 -0.857 . . . . 0.0 110.174 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.5 mt -131.1 105.63 7.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.409 -0.807 . . . . 0.0 110.174 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.0 p -65.24 -177.72 0.41 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.361 -0.837 . . . . 0.0 110.273 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.63 -34.19 75.31 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.393 -0.817 . . . . 0.0 110.194 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.389 -0.82 . . . . 0.0 110.185 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.53 -51.23 68.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.33 -0.856 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.3 t -61.77 -27.35 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.83 . . . . 0.0 109.9 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.55 -48.02 61.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.494 -0.754 . . . . 0.0 109.981 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.23 -29.19 70.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.381 -0.824 . . . . 0.0 110.029 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.712 ' HG2' HD13 ' A' ' 143' ' ' LEU . 3.3 mtp -79.16 -35.18 42.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.353 -0.842 . . . . 0.0 110.003 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.523 HD21 HD22 ' A' ' 105' ' ' LEU . 2.8 mt -63.23 -39.91 95.95 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.455 -0.778 . . . . 0.0 110.167 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -61.64 -40.41 94.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.299 -0.876 . . . . 0.0 110.154 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.22 -34.84 36.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.445 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 124' ' ' MET . 71.7 t -79.97 -29.48 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.337 -0.852 . . . . 0.0 110.266 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.7 t -61.21 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.343 -0.848 . . . . 0.0 110.18 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -110.19 -29.69 8.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.829 . . . . 0.0 110.16 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -75.04 -106.98 0.1 OUTLIER Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.4 t -164.81 -46.68 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.317 -1.108 . . . . 0.0 110.214 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.43 -72.2 0.51 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -81.95 142.25 32.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.426 -1.044 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.449 HD13 HD23 ' A' ' 125' ' ' LEU . 81.1 mt -105.97 148.93 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.369 -0.832 . . . . 0.0 110.082 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -82.3 120.27 25.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.448 -0.783 . . . . 0.0 110.214 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.649 HD13 ' HB3' ' A' ' 89' ' ' PHE . 7.3 pt -62.66 -17.78 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.259 -0.9 . . . . 0.0 110.431 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -57.38 -46.97 82.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 110.376 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.431 ' HB3' HG13 ' A' ' 128' ' ' VAL . 13.8 mt-30 -69.49 -50.55 44.21 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.885 . . . . 0.0 110.171 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.711 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.67 -37.27 83.46 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.346 -0.846 . . . . 0.0 110.039 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.04 98.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.085 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.15 93.72 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.358 -0.839 . . . . 0.0 110.09 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.712 HD13 ' HG2' ' A' ' 124' ' ' MET . 8.8 mt -63.77 -36.03 82.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.865 . . . . 0.0 110.148 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.3 mt -79.31 -47.97 14.92 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.416 -0.803 . . . . 0.0 110.275 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.347 -0.846 . . . . 0.0 110.16 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.239 0.542 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.18 -40.07 92.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.31 -0.869 . . . . 0.0 110.232 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -62.21 -47.05 86.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.305 -0.872 . . . . 0.0 110.018 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.406 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 15.3 mm-40 -66.13 -44.97 82.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.441 -0.787 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.19 -29.82 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.406 -0.809 . . . . 0.0 109.95 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.8 83.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.802 . . . . 0.0 109.958 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -48.32 74.3 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.468 -0.77 . . . . 0.0 110.068 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.4 m-85 -61.91 -37.3 84.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.365 -0.835 . . . . 0.0 110.024 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -60.51 -40.63 92.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.427 -0.796 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.51 -49.29 71.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.386 -0.821 . . . . 0.0 110.233 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.56 -33.69 71.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.334 -0.854 . . . . 0.0 110.31 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -71.22 -39.92 71.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.262 -0.899 . . . . 0.0 110.264 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.66 -28.48 64.82 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.433 -0.792 . . . . 0.0 110.262 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.3 -32.65 73.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.349 -0.845 . . . . 0.0 110.248 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -106.54 26.94 9.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.328 -0.857 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.9 p -125.45 155.8 39.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.381 -1.07 . . . . 0.0 110.202 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.6 pt -126.72 158.05 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.388 -0.82 . . . . 0.0 110.171 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 m -81.81 159.93 23.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.247 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -40.04 93.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.352 -0.843 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -25.99 35.2 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.352 -0.843 . . . . 0.0 110.397 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.822 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.4 mt-10 -94.45 -17.23 22.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.339 -0.851 . . . . 0.0 110.448 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.66 -50.27 73.71 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.194 -0.941 . . . . 0.0 110.451 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.46 85.59 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.3 m -66.85 -38.79 87.04 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.389 -0.819 . . . . 0.0 110.064 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 31' ' ' GLU . 80.3 t -61.66 -38.27 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.387 -0.821 . . . . 0.0 109.933 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.2 mtt -68.47 -36.08 78.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.42 -0.8 . . . . 0.0 109.979 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -66.92 -32.12 73.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.458 -0.776 . . . . 0.0 110.051 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 m -79.47 -35.07 40.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.119 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.43 -26.31 67.91 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.261 -0.899 . . . . 0.0 110.096 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.47 34.78 0.98 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.4 mt -119.66 179.67 4.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.351 -1.088 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -167.52 68.18 0.87 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.37 -0.831 . . . . 0.0 110.252 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.46 138.49 27.17 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.741 1.39 . . . . 0.0 110.346 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -60.37 167.96 2.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.324 -0.86 . . . . 0.0 110.223 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.84 -26.89 64.6 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.289 -0.882 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.64 -41.13 65.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.408 -0.807 . . . . 0.0 110.161 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' HD13 ' A' ' 51' ' ' LEU . 4.1 mt-10 -65.38 -37.28 86.54 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.387 -0.82 . . . . 0.0 110.066 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.03 -45.47 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.414 -0.804 . . . . 0.0 109.913 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.98 -39.09 90.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.449 -0.782 . . . . 0.0 110.028 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -63.19 -46.16 88.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 47' ' ' GLU . 3.1 mp -61.96 -45.91 91.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.393 -0.817 . . . . 0.0 110.119 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.7 mtt -65.11 -29.13 69.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.377 -0.827 . . . . 0.0 109.902 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -65.33 -42.57 92.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.496 -0.753 . . . . 0.0 110.052 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.71 -44.95 72.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.385 -0.822 . . . . 0.0 109.801 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.42 HD13 HD11 ' A' ' 63' ' ' ILE . 12.8 mt -65.57 -61.04 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.489 -0.757 . . . . 0.0 109.772 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 t0 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.383 -0.823 . . . . 0.0 110.211 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.151 0.5 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.42 HD11 HD13 ' A' ' 55' ' ' ILE . 73.3 mt -79.99 116.46 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.28 -0.887 . . . . 0.0 110.294 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -85.07 160.24 20.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.366 -0.834 . . . . 0.0 110.032 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.681 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.8 t80 -56.34 -26.18 51.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.317 -0.865 . . . . 0.0 110.362 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -50.44 23.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -0.856 . . . . 0.0 109.991 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.57 -34.76 78.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.378 -0.826 . . . . 0.0 110.077 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.89 -51.68 60.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.124 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.681 HD11 ' CE2' ' A' ' 65' ' ' PHE . 42.2 mt -56.32 -38.18 70.95 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.351 -0.843 . . . . 0.0 110.115 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.83 73.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.954 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -62.61 -41.49 99.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.429 -0.795 . . . . 0.0 110.072 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.1 mmm -64.9 -30.6 71.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.092 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.417 -0.802 . . . . 0.0 110.2 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 86' ' ' LEU . 16.8 pt-20 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 121.21 0.529 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.8 -39.44 94.26 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.075 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.46 -48.03 83.01 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.392 -0.817 . . . . 0.0 110.125 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -45.92 90.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.317 -0.864 . . . . 0.0 110.018 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 82' ' ' GLU . 16.2 mt -63.79 -27.91 69.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.322 -0.861 . . . . 0.0 110.02 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.58 -46.34 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.427 -0.795 . . . . 0.0 110.063 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.95 -48.19 82.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.367 -0.833 . . . . 0.0 110.133 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.731 ' HB3' HD13 ' A' ' 137' ' ' ILE . 12.2 m-85 -60.92 -28.57 69.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.399 -0.813 . . . . 0.0 110.132 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -70.59 -42.58 70.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.817 . . . . 0.0 110.051 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.42 -39.78 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.838 . . . . 0.0 110.102 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.592 ' CD2' HG22 ' A' ' 108' ' ' VAL . 9.2 m-85 -67.02 -29.83 69.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.338 -0.851 . . . . 0.0 110.214 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -79.58 129.45 34.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.836 . . . . 0.0 110.194 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.42 -27.0 10.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.389 -0.819 . . . . 0.0 110.214 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.86 -33.76 72.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 0.0 110.242 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.01 35.74 6.25 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.654 ' HB3' HD12 ' A' ' 99' ' ' LEU . 2.6 m-20 -130.48 6.98 4.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.336 -1.096 . . . . 0.0 110.593 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 61.54 38.76 96.34 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.654 HD12 ' HB3' ' A' ' 97' ' ' ASP . 12.4 mt -128.72 113.81 15.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.419 -1.048 . . . . 0.0 110.23 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 pt -127.43 160.27 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m -79.7 160.45 26.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.85 . . . . 0.0 110.196 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.13 -35.08 33.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.44 -0.787 . . . . 0.0 110.56 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.6 85.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.368 -0.833 . . . . 0.0 110.004 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.834 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.6 mt-10 -64.51 -38.07 89.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.386 -0.821 . . . . 0.0 109.847 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.831 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.6 tp -61.24 -38.81 88.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 0.0 110.065 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -69.23 -40.64 77.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.421 -0.799 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -67.15 -27.4 67.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.4 -0.812 . . . . 0.0 110.187 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 104' ' ' GLU . 89.0 t -75.09 -47.17 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.347 -0.846 . . . . 0.0 110.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 105' ' ' LEU . 9.6 mt -63.2 -28.98 70.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.141 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.7 m -80.04 -31.87 39.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 0.0 110.214 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.96 -38.97 66.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.296 -0.877 . . . . 0.0 110.179 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.11 -26.78 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.36 -0.837 . . . . 0.0 110.082 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.32 31.03 32.07 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.26 161.73 30.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.377 -1.072 . . . . 0.0 110.263 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.7 60.58 5.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.845 . . . . 0.0 110.16 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 116' ' ' LEU . 81.6 mt -135.53 118.52 16.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.4 p -81.78 -178.22 6.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 0.0 110.105 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -27.94 69.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.331 -0.856 . . . . 0.0 110.152 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.32 -43.97 84.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.331 -0.855 . . . . 0.0 110.078 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.63 -48.59 76.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.0 110.121 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.561 HG12 HD12 ' A' ' 125' ' ' LEU . 73.7 t -61.09 -30.83 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.372 -0.83 . . . . 0.0 109.901 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.24 -47.31 80.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.376 -0.827 . . . . 0.0 109.981 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.35 -30.33 71.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.377 -0.827 . . . . 0.0 109.892 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.542 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 1.1 ttp -80.13 -34.4 37.8 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.42 -0.8 . . . . 0.0 109.995 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.561 HD12 HG12 ' A' ' 121' ' ' VAL . 2.0 mt -64.04 -37.07 86.08 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.435 -0.791 . . . . 0.0 110.218 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -66.19 -31.18 71.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.366 -0.834 . . . . 0.0 110.226 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -80.05 -32.6 39.4 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.419 -0.8 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.631 HG12 HG23 ' A' ' 135' ' ' ILE . 62.9 t -90.46 -26.77 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.309 -0.87 . . . . 0.0 110.309 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.3 p -61.66 117.38 5.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.279 -0.888 . . . . 0.0 110.198 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.02 -29.1 11.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.431 -0.793 . . . . 0.0 110.19 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 110.68 39.56 1.43 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.97 -57.01 2.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.34 -1.094 . . . . 0.0 110.208 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 160.08 -50.06 0.38 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -114.21 152.13 31.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.438 -1.037 . . . . 0.0 110.184 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.631 HG23 HG12 ' A' ' 128' ' ' VAL . 80.8 mt -105.93 143.66 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 110.065 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.35 125.12 32.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.369 -0.832 . . . . 0.0 110.19 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.731 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.9 pt -64.75 -18.6 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.385 -0.822 . . . . 0.0 110.468 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -59.55 -41.94 91.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.115 -0.99 . . . . 0.0 110.198 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.72 -46.12 48.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.311 -0.868 . . . . 0.0 110.089 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.831 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.94 -45.42 85.87 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.372 -0.83 . . . . 0.0 110.018 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.32 -31.97 73.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.392 -0.817 . . . . 0.0 110.064 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.79 62.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.392 -0.817 . . . . 0.0 110.197 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.486 HD13 ' CG ' ' A' ' 124' ' ' MET . 5.3 mt -68.57 -35.98 78.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.184 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.91 -29.04 39.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 110.251 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.428 -0.795 . . . . 0.0 110.249 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.239 0.542 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.16 -34.15 75.86 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 110.168 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.9 -46.06 76.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.076 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.51 -42.99 86.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.325 -0.86 . . . . 0.0 110.096 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -66.1 -33.41 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.447 -0.783 . . . . 0.0 109.909 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -33.44 74.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.364 -0.835 . . . . 0.0 109.944 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -68.0 -49.21 62.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.077 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.442 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 27.2 m-85 -61.52 -36.09 79.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.333 -0.854 . . . . 0.0 110.028 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 13.5 ttmt -62.22 -42.01 98.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.348 -0.845 . . . . 0.0 110.185 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.95 -51.91 66.17 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -0.886 . . . . 0.0 110.135 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.86 85.46 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.324 -0.86 . . . . 0.0 110.157 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -67.13 -40.05 86.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.323 -0.861 . . . . 0.0 110.276 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.64 -27.75 65.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.364 -0.835 . . . . 0.0 110.221 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -63.34 -34.69 78.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.229 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 27' ' ' ILE . 85.3 m-85 -107.36 27.98 8.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.29 -0.881 . . . . 0.0 110.217 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.397 -0.814 . . . . 0.0 110.155 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -149.64 140.57 22.85 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.372 -1.075 . . . . 0.0 110.198 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 19' ' ' PHE . 40.1 pt -128.1 157.5 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.399 -0.813 . . . . 0.0 110.231 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.86 160.17 18.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.425 -0.797 . . . . 0.0 110.32 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -36.32 72.28 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.366 -0.834 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -57.02 -27.18 61.4 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.385 -0.822 . . . . 0.0 110.333 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 35' ' ' VAL . 23.3 mt-10 -98.78 -17.98 18.2 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.31 -0.868 . . . . 0.0 110.358 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.663 HD22 ' CD1' ' A' ' 63' ' ' ILE . 44.9 tp -57.17 -48.48 78.63 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.321 -0.862 . . . . 0.0 110.375 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.24 80.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.311 -0.868 . . . . 0.0 110.205 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.8 m -68.14 -37.87 81.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.9 t -61.33 -36.05 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.36 -0.837 . . . . 0.0 109.91 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.8 mtt -73.62 -37.5 65.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.865 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.35 -30.39 70.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.421 -0.799 . . . . 0.0 110.115 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -33.87 38.94 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.379 -0.825 . . . . 0.0 110.16 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.29 -27.96 66.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.343 -0.848 . . . . 0.0 110.215 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.96 39.86 0.4 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -126.33 177.81 6.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.291 -1.123 . . . . 0.0 110.095 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p -167.47 67.22 0.84 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.389 -0.82 . . . . 0.0 110.189 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.5 137.56 25.57 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 O-C-N 123.857 1.451 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.2 m -66.29 174.43 2.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.294 -0.879 . . . . 0.0 110.133 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -59.49 -28.49 67.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.278 -0.889 . . . . 0.0 110.11 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.68 69.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.372 -0.83 . . . . 0.0 110.021 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -68.64 -36.11 78.17 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.094 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 44' ' ' SER . 60.6 t -68.04 -39.4 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.366 -0.834 . . . . 0.0 109.936 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -63.84 -40.01 95.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.432 -0.792 . . . . 0.0 109.969 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.48 -47.06 87.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.378 -0.826 . . . . 0.0 110.056 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 55' ' ' ILE . 20.6 mt -63.31 -46.87 84.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.337 -0.852 . . . . 0.0 109.999 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.2 mtt -66.85 -28.28 68.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.398 -0.814 . . . . 0.0 109.917 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -67.02 -36.21 81.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.433 -0.792 . . . . 0.0 109.935 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -79.39 -30.36 42.42 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.445 -0.784 . . . . 0.0 109.95 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 51' ' ' LEU . 10.6 mt -88.51 -64.41 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.47 -0.769 . . . . 0.0 109.944 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.343 -0.848 . . . . 0.0 110.267 -179.905 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.153 0.501 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.663 ' CD1' HD22 ' A' ' 32' ' ' LEU . 84.0 mt -80.05 133.63 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.388 -0.82 . . . . 0.0 110.199 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.49 160.16 14.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.417 -0.802 . . . . 0.0 110.029 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.716 ' CE2' HD11 ' A' ' 69' ' ' LEU . 17.6 t80 -56.97 -36.36 70.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.873 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.3 p -62.54 -55.86 23.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.399 -0.813 . . . . 0.0 110.011 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.49 -29.4 70.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 0.0 110.044 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -68.66 -47.62 66.05 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.306 -0.871 . . . . 0.0 110.06 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.716 HD11 ' CE2' ' A' ' 65' ' ' PHE . 42.2 mt -59.56 -37.76 79.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.425 -0.797 . . . . 0.0 110.001 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.37 -45.34 76.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.407 -0.808 . . . . 0.0 110.014 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.19 -42.11 98.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.395 -0.816 . . . . 0.0 110.037 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.442 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 93.4 mmm -62.05 -39.41 92.28 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.386 -0.822 . . . . 0.0 110.028 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.389 -0.82 . . . . 0.0 110.057 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' HG2' HD11 ' A' ' 86' ' ' LEU . 39.6 tt0 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.155 0.503 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -51.88 -43.9 63.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.43 -0.794 . . . . 0.0 110.471 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.94 -43.31 96.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.353 -0.842 . . . . 0.0 110.07 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -37.09 83.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.334 -0.854 . . . . 0.0 110.119 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.401 HD11 ' HG2' ' A' ' 82' ' ' GLU . 77.8 mt -63.25 -32.97 74.52 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.408 -0.808 . . . . 0.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.35 -46.37 55.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.392 -0.817 . . . . 0.0 110.136 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.3 93.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 110.202 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.658 ' CE1' HG11 ' A' ' 108' ' ' VAL . 9.6 m-85 -61.95 -35.65 79.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.341 -0.85 . . . . 0.0 110.175 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -62.96 -43.2 99.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 110.186 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.64 -32.15 56.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.411 -0.805 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.445 ' CD2' HG22 ' A' ' 108' ' ' VAL . 6.7 m-85 -73.46 -28.0 61.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.402 -0.811 . . . . 0.0 110.141 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' ASN . 11.6 t70 -74.36 -29.66 61.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.361 -0.837 . . . . 0.0 110.2 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.15 -69.94 0.09 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.506 -0.746 . . . . 0.0 110.522 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' ASP . 24.1 t-20 -53.58 -37.98 63.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.187 -0.945 . . . . 0.0 110.417 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.55 43.06 4.35 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.46 -28.39 11.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.341 -1.094 . . . . 0.0 110.161 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.86 32.98 7.25 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 134' ' ' GLU . 6.5 mt -143.52 134.03 24.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.42 -1.047 . . . . 0.0 110.153 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.405 HG23 ' C ' ' A' ' 99' ' ' LEU . 46.7 pt -146.34 160.22 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.406 -0.809 . . . . 0.0 110.253 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.9 m -79.78 160.36 26.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.385 -0.822 . . . . 0.0 110.189 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.24 -27.42 14.8 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.37 -0.831 . . . . 0.0 110.428 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.83 39.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.366 -0.834 . . . . 0.0 110.032 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.9 mt-10 -62.96 -37.5 87.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 109.93 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.78 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -66.26 -39.25 89.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.382 -0.824 . . . . 0.0 110.086 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -65.47 -39.9 92.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.333 -0.855 . . . . 0.0 110.096 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -67.4 -31.83 72.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.326 -0.859 . . . . 0.0 110.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 104' ' ' GLU . 68.0 t -70.78 -42.98 77.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.368 -0.833 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -29.96 70.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.414 -0.803 . . . . 0.0 110.166 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.7 m -78.47 -43.19 27.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.267 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -44.03 97.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.332 -0.855 . . . . 0.0 110.176 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.31 -25.18 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.4 -0.812 . . . . 0.0 110.173 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.49 36.73 58.82 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 169.79 1.44 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.406 -1.055 . . . . 0.0 110.235 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 47.61 1.35 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.355 -0.841 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.481 HD11 HD22 ' A' ' 144' ' ' LEU . 84.6 mt -124.77 159.3 31.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.417 -0.802 . . . . 0.0 110.228 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 12.8 p -122.73 -171.73 2.34 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.364 -0.835 . . . . 0.0 110.186 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.04 -37.47 85.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.402 -0.811 . . . . 0.0 110.128 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.32 99.09 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.322 -0.861 . . . . 0.0 110.099 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.454 ' HB3' HD22 ' A' ' 116' ' ' LEU . 7.0 mm-40 -66.83 -49.45 65.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.391 -0.818 . . . . 0.0 110.064 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -65.06 -28.93 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.364 -0.835 . . . . 0.0 109.998 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.56 -41.92 75.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.349 -0.844 . . . . 0.0 109.97 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.61 -30.82 67.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.855 . . . . 0.0 109.949 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.484 ' O ' HG23 ' A' ' 128' ' ' VAL . 4.5 mtp -75.71 -38.41 58.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 110.053 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.69 -35.27 79.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.353 -0.842 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -67.09 -42.13 85.13 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.368 -0.832 . . . . 0.0 110.136 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -29.98 38.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.351 -0.843 . . . . 0.0 110.215 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 124' ' ' MET . 85.7 t -89.75 -62.15 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.166 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.01 97.49 0.17 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.223 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -163.72 30.16 0.08 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.446 -0.784 . . . . 0.0 110.204 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -122.89 -89.31 0.92 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.2 m -116.56 -35.87 4.12 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.35 -1.088 . . . . 0.0 110.234 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 150.29 -37.37 0.92 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.518 ' HB3' HD22 ' A' ' 99' ' ' LEU . 7.1 mm-40 -82.08 113.7 20.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.414 -1.051 . . . . 0.0 110.187 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 84.8 mt -91.14 141.29 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.121 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -86.33 138.49 31.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -0.847 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 89' ' ' PHE . 18.1 pt -67.58 -21.3 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.445 -0.785 . . . . 0.0 110.411 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -59.92 -52.83 63.76 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.211 -0.93 . . . . 0.0 110.291 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -63.29 -49.88 72.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.339 -0.851 . . . . 0.0 110.204 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.78 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -60.91 -45.82 93.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.339 -0.851 . . . . 0.0 110.176 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.75 71.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.857 . . . . 0.0 110.16 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.02 -32.71 39.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.322 -0.861 . . . . 0.0 110.125 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.38 -40.11 95.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.348 -0.845 . . . . 0.0 110.159 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 116' ' ' LEU . 88.1 mt -74.03 -67.8 0.58 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.42 -0.8 . . . . 0.0 110.097 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.8 t . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.41 -0.806 . . . . 0.0 110.677 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.419 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.28 0.562 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -52.42 -50.17 63.09 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.709 0.766 . . . . 0.0 109.785 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 14.1 pt-20 -54.38 -42.65 70.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.724 -0.61 . . . . 0.0 110.594 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 64.7 mt-30 -70.45 -42.71 71.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 109.982 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.1 mt -66.15 -29.47 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.419 -0.801 . . . . 0.0 109.854 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.36 -39.23 71.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.415 -0.803 . . . . 0.0 109.988 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -63.54 -47.3 82.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.424 -0.797 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 26.4 m-85 -61.11 -39.62 90.68 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.381 -0.824 . . . . 0.0 110.089 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -59.09 -40.47 85.37 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.425 -0.797 . . . . 0.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -62.3 -51.54 67.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.423 -0.798 . . . . 0.0 110.038 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -25.67 63.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.885 . . . . 0.0 110.154 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' CE1' HG23 ' A' ' 27' ' ' ILE . 18.9 t80 -78.64 -33.25 47.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.332 -0.855 . . . . 0.0 110.161 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.76 -28.53 55.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.386 -0.821 . . . . 0.0 110.248 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.38 -28.09 69.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.197 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -114.91 32.82 5.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.367 -0.833 . . . . 0.0 110.153 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.384 -0.823 . . . . 0.0 110.115 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -139.26 149.64 44.53 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.307 -1.114 . . . . 0.0 110.151 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.405 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.7 pt -125.36 159.48 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.369 -0.832 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -81.51 157.0 25.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.373 -0.83 . . . . 0.0 110.173 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -62.26 -29.14 70.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.307 -0.87 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -62.75 -33.83 75.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.412 -0.805 . . . . 0.0 110.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.784 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.7 mt-10 -86.23 -17.19 35.44 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.348 -0.845 . . . . 0.0 110.375 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -53.47 -50.33 65.54 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.909 . . . . 0.0 110.37 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.78 84.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.326 -0.859 . . . . 0.0 110.098 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.6 m -68.48 -37.13 79.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.0 110.021 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 31' ' ' GLU . 65.9 t -62.42 -37.96 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.296 -0.878 . . . . 0.0 109.925 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.6 mtt -70.52 -35.89 73.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 109.947 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -65.67 -37.93 87.89 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.498 -0.751 . . . . 0.0 110.142 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -79.97 -28.75 39.54 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.108 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.2 mt -72.13 -23.56 61.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.358 -0.839 . . . . 0.0 110.313 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.97 33.53 1.14 Allowed Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.6 mt -124.2 172.24 9.21 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -1.131 . . . . 0.0 110.152 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -163.55 63.89 1.27 Allowed Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.346 -0.846 . . . . 0.0 110.215 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.36 138.06 26.74 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.81 1.426 . . . . 0.0 110.423 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -61.13 170.75 1.52 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.37 -0.831 . . . . 0.0 110.039 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -27.97 68.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.359 -0.838 . . . . 0.0 110.107 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.03 79.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.441 -0.787 . . . . 0.0 110.041 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -67.1 -38.84 86.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.832 . . . . 0.0 109.974 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 44' ' ' SER . 57.7 t -66.23 -38.3 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.386 -0.821 . . . . 0.0 109.91 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -34.15 77.38 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.381 -0.824 . . . . 0.0 109.974 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.25 -47.7 72.9 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.365 -0.834 . . . . 0.0 110.048 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.49 -39.9 95.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.374 -0.829 . . . . 0.0 109.978 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mtt -69.63 -27.64 65.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.426 -0.796 . . . . 0.0 109.993 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.43 -40.01 77.51 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.515 -0.74 . . . . 0.0 110.036 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -74.5 -30.96 62.01 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.371 -0.83 . . . . 0.0 109.86 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.37 -60.84 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.411 -0.806 . . . . 0.0 109.884 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t0 . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.399 -0.813 . . . . 0.0 110.238 -179.83 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.209 0.528 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.4 mt -79.86 124.6 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.226 -0.921 . . . . 0.0 110.189 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -87.68 160.11 18.25 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.326 -0.858 . . . . 0.0 110.148 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.722 ' CE2' HD11 ' A' ' 69' ' ' LEU . 15.7 t80 -58.3 -24.65 60.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.39 -0.819 . . . . 0.0 110.395 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.7 t -73.73 -51.27 17.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 71' ' ' LEU . 9.7 mm-40 -65.89 -30.53 71.15 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.222 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -69.67 -47.97 61.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.374 -0.829 . . . . 0.0 110.123 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.722 HD11 ' CE2' ' A' ' 65' ' ' PHE . 49.2 mt -60.06 -36.08 76.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.203 -0.936 . . . . 0.0 110.09 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.52 -47.42 48.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 0.0 110.089 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 67' ' ' GLU . 13.4 mt -60.94 -34.33 74.55 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.4 -0.813 . . . . 0.0 110.08 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.0 mmm -70.62 -36.44 73.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.83 . . . . 0.0 110.072 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.402 -0.811 . . . . 0.0 110.145 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.217 0.532 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.552 ' HA ' HD12 ' A' ' 86' ' ' LEU . 1.8 mm-40 -52.65 -42.06 64.35 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.324 -0.86 . . . . 0.0 110.401 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.355 -0.841 . . . . 0.0 110.148 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.82 -37.91 87.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.477 -0.765 . . . . 0.0 110.16 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 83' ' ' GLN . 36.8 mt -63.06 -36.3 83.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.383 -0.823 . . . . 0.0 110.218 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -67.4 -46.78 72.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.433 -0.792 . . . . 0.0 110.158 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.05 99.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.364 -0.835 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CD1' HG22 ' A' ' 137' ' ' ILE . 3.3 m-85 -61.02 -37.34 82.23 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.285 -0.885 . . . . 0.0 110.218 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -65.64 -40.49 92.56 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.353 -0.842 . . . . 0.0 110.173 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.27 -31.21 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.299 -0.876 . . . . 0.0 110.115 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CE2' HG22 ' A' ' 108' ' ' VAL . 6.3 m-85 -76.64 -27.61 55.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.329 -0.857 . . . . 0.0 110.232 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.26 162.71 25.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.412 -0.805 . . . . 0.0 110.152 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 96' ' ' GLY . 4.5 tptt -114.54 146.21 41.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.375 -0.828 . . . . 0.0 110.183 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 65.51 -68.3 0.12 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.491 -0.756 . . . . 0.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 148.8 61.05 0.01 OUTLIER Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -108.0 -28.26 9.67 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -1.042 . . . . 0.0 110.237 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.33 29.88 59.48 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.6 mt -130.96 108.06 9.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.376 -1.073 . . . . 0.0 110.16 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 pt -116.89 160.22 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.327 -0.858 . . . . 0.0 110.174 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 m -79.79 160.22 26.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.841 . . . . 0.0 110.22 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.35 -33.01 51.83 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.374 -0.829 . . . . 0.0 110.451 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.06 -53.27 52.4 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.261 -0.899 . . . . 0.0 110.099 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.775 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.2 mt-10 -60.53 -29.23 68.99 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.373 -0.83 . . . . 0.0 110.095 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.804 HD22 HD21 ' A' ' 125' ' ' LEU . 1.3 tp -67.18 -44.85 78.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.419 -0.801 . . . . 0.0 110.188 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -65.65 -40.6 92.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.426 -0.796 . . . . 0.0 110.16 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -63.22 -31.49 72.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.381 -0.824 . . . . 0.0 110.232 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 104' ' ' GLU . 72.5 t -77.76 -44.74 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.337 -0.852 . . . . 0.0 110.125 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -28.96 66.16 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.394 -0.816 . . . . 0.0 110.225 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.5 m -80.27 -37.1 33.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.329 -0.857 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.6 m -62.45 -40.13 95.6 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.403 -0.811 . . . . 0.0 110.175 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 63.1 mt -64.24 -27.12 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.347 -0.846 . . . . 0.0 110.103 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.84 32.83 52.64 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.69 -178.86 0.6 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.339 -1.095 . . . . 0.0 110.136 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.0 37.04 1.7 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.362 -0.836 . . . . 0.0 110.214 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.716 HD11 HD22 ' A' ' 144' ' ' LEU . 6.6 mt -101.65 101.36 11.87 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.4 p -61.14 177.25 0.36 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.369 -0.832 . . . . 0.0 110.143 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.91 -29.84 69.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.365 -0.834 . . . . 0.0 110.172 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.58 89.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.376 -0.827 . . . . 0.0 110.299 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.625 ' OE1' HD23 ' A' ' 116' ' ' LEU . 30.5 mt-10 -61.6 -47.74 84.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.4 -0.813 . . . . 0.0 110.228 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 125' ' ' LEU . 60.9 t -63.28 -31.97 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.388 -0.82 . . . . 0.0 110.126 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -43.34 78.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.38 -0.825 . . . . 0.0 110.166 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.63 -28.26 63.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.204 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.47 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 2.8 mtp -79.94 -29.99 39.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.377 -0.827 . . . . 0.0 110.158 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.804 HD21 HD22 ' A' ' 105' ' ' LEU . 22.7 mt -73.76 -39.53 64.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 110.26 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -65.73 -30.84 71.56 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.352 -0.843 . . . . 0.0 110.164 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.98 -32.79 39.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.149 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.779 ' CG1' HG23 ' A' ' 135' ' ' ILE . 61.5 t -94.06 -59.88 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.353 -0.842 . . . . 0.0 110.101 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 t -61.87 120.6 11.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.329 -0.857 . . . . 0.0 110.189 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -160.72 65.83 0.31 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.419 -0.801 . . . . 0.0 110.199 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 179.34 -91.43 0.08 OUTLIER Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.1 t -110.24 -26.59 9.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -1.11 . . . . 0.0 110.291 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 132.62 -8.31 5.26 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -79.77 103.17 9.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.186 -1.185 . . . . 0.0 110.212 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.779 HG23 ' CG1' ' A' ' 128' ' ' VAL . 13.7 mt -95.1 150.33 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.341 -0.849 . . . . 0.0 110.13 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.63 146.07 25.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.336 -0.852 . . . . 0.0 110.135 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.571 HG22 ' CD1' ' A' ' 89' ' ' PHE . 3.0 pt -78.73 -18.27 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -0.832 . . . . 0.0 110.505 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -71.51 -49.74 38.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.268 -0.895 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -62.3 -45.7 92.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 110.206 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.757 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -65.84 -41.72 91.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.37 -0.831 . . . . 0.0 110.119 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.99 -29.34 70.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.383 -0.823 . . . . 0.0 110.132 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.71 -33.92 52.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 110.07 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.61 -35.24 79.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.403 -0.811 . . . . 0.0 110.099 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 116' ' ' LEU . 89.0 mt -72.38 -29.04 63.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 110.216 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.355 -0.84 . . . . 0.0 110.222 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.11 0.481 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -61.22 -36.69 80.63 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.354 -0.841 . . . . 0.0 110.15 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.4 -48.69 74.45 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 109.916 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -65.6 -44.98 84.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.377 -0.827 . . . . 0.0 109.93 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.95 -29.74 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.384 -0.823 . . . . 0.0 109.824 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.25 85.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 0.0 109.907 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.51 -50.39 72.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.435 -0.79 . . . . 0.0 109.979 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -58.6 -37.61 76.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.341 -0.85 . . . . 0.0 110.101 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 12.2 ttmt -63.53 -37.68 88.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.429 -0.794 . . . . 0.0 110.184 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -61.9 -53.54 54.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.344 -0.848 . . . . 0.0 110.153 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.44 -33.83 75.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.336 -0.852 . . . . 0.0 110.068 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.5 -35.52 75.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.349 -0.844 . . . . 0.0 110.193 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.43 -27.39 60.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.351 -0.843 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.5 -46.6 86.37 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -87.48 -26.65 23.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.393 -0.817 . . . . 0.0 110.201 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 0.0 110.155 179.944 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -144.73 144.59 31.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -1.088 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.0 pt -126.21 155.53 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.427 -0.796 . . . . 0.0 110.169 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -81.01 160.1 24.66 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.401 -0.812 . . . . 0.0 110.277 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -38.25 82.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.401 -0.812 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -25.58 42.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.387 -0.821 . . . . 0.0 110.431 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.765 ' O ' HG23 ' A' ' 35' ' ' VAL . 21.5 mt-10 -97.27 -17.66 19.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.331 -0.856 . . . . 0.0 110.374 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.544 HD22 ' CD1' ' A' ' 63' ' ' ILE . 53.4 tp -56.56 -51.41 68.7 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.282 -0.886 . . . . 0.0 110.449 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.79 -37.97 77.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.327 -0.858 . . . . 0.0 110.122 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.5 m -67.28 -38.32 84.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -0.83 . . . . 0.0 109.887 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 31' ' ' GLU . 99.6 t -59.75 -40.77 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.384 -0.823 . . . . 0.0 109.914 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.3 mtt -67.97 -35.75 78.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.389 -0.819 . . . . 0.0 109.824 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -68.07 -37.58 81.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.401 -0.812 . . . . 0.0 110.195 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 m -78.45 -33.06 48.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.89 . . . . 0.0 110.203 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.523 HD13 ' HE1' ' A' ' 72' ' ' MET . 4.9 mt -69.29 -27.22 65.22 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.386 -0.821 . . . . 0.0 110.209 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.17 33.91 1.19 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -117.69 176.09 5.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.343 -1.092 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 m -164.97 70.55 1.42 Allowed Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.385 -0.822 . . . . 0.0 109.954 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.9 140.27 34.76 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.749 1.394 . . . . 0.0 110.432 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -58.16 161.69 4.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.315 -0.865 . . . . 0.0 110.135 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -57.17 -27.96 62.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.31 -0.869 . . . . 0.0 110.03 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.93 -38.1 66.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 109.915 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.01 -36.91 84.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.351 -0.843 . . . . 0.0 109.92 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.31 -48.1 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.44 -0.788 . . . . 0.0 109.93 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -62.76 -41.63 99.31 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.402 -0.811 . . . . 0.0 109.968 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.59 -42.34 95.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.41 -0.806 . . . . 0.0 110.019 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 55' ' ' ILE . 41.8 mt -63.19 -43.2 98.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 109.857 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 mtt -67.91 -28.75 67.77 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.455 -0.778 . . . . 0.0 109.9 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -39.46 87.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.484 -0.76 . . . . 0.0 110.001 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -73.45 -31.29 63.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.413 -0.805 . . . . 0.0 109.793 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 51' ' ' LEU . 13.6 mt -85.55 -61.49 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.546 -0.721 . . . . 0.0 109.809 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.84 . . . . 0.0 110.197 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.112 0.482 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.544 ' CD1' HD22 ' A' ' 32' ' ' LEU . 75.1 mt -79.82 126.29 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.356 -0.84 . . . . 0.0 110.175 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -88.09 160.12 17.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.424 -0.797 . . . . 0.0 110.134 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.703 ' CE2' HD11 ' A' ' 69' ' ' LEU . 19.8 t80 -57.13 -26.04 59.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.36 -0.837 . . . . 0.0 110.334 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.5 p -71.8 -54.86 8.83 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.336 -0.852 . . . . 0.0 110.05 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -63.32 -30.44 71.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.385 -0.822 . . . . 0.0 110.252 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -70.16 -44.96 67.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 110.081 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.703 HD11 ' CE2' ' A' ' 65' ' ' PHE . 45.9 mt -60.24 -38.03 82.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 110.041 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.83 -49.86 54.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.393 -0.817 . . . . 0.0 110.014 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.02 -38.58 83.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.341 -0.849 . . . . 0.0 110.082 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.523 ' HE1' HD13 ' A' ' 39' ' ' LEU . 84.2 mmm -63.22 -40.32 97.12 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.329 -0.857 . . . . 0.0 110.165 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.31 -0.869 . . . . 0.0 110.207 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.216 0.531 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -59.75 -24.71 64.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.306 -0.871 . . . . 0.0 110.231 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.28 -41.01 70.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.0 110.143 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -43.27 74.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -0.885 . . . . 0.0 110.141 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 mt -66.54 -28.93 68.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.046 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -43.43 71.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.375 -0.828 . . . . 0.0 110.175 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.09 -48.81 77.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.26 -0.9 . . . . 0.0 110.222 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.711 ' HB3' HD13 ' A' ' 137' ' ' ILE . 17.4 m-85 -62.32 -28.72 69.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.431 -0.793 . . . . 0.0 110.198 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -67.36 -45.69 75.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.365 -0.834 . . . . 0.0 110.134 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.07 -38.0 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -0.824 . . . . 0.0 110.063 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.441 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 9.5 m-85 -70.22 -26.63 63.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.396 -0.815 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -80.97 137.7 36.09 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 110.226 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -73.61 -29.5 62.42 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 0.0 110.208 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -110.54 -177.35 3.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.839 . . . . 0.0 110.258 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.51 35.74 4.86 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -104.44 -34.98 8.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.38 -1.07 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.41 53.01 0.84 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mt -134.41 99.65 4.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.416 -1.049 . . . . 0.0 110.211 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.433 HD11 HD12 ' A' ' 105' ' ' LEU . 42.5 pt -117.98 160.27 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.376 -0.827 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.7 t -79.69 160.17 26.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.341 -0.85 . . . . 0.0 110.232 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.45 -34.12 60.86 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.377 -0.827 . . . . 0.0 110.476 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -59.52 5.26 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.293 -0.879 . . . . 0.0 110.091 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.752 ' O ' HG23 ' A' ' 108' ' ' VAL . 10.2 mt-10 -58.6 -26.9 64.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.411 -0.806 . . . . 0.0 110.114 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.742 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 4.0 tp -68.47 -44.73 74.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.402 -0.811 . . . . 0.0 110.04 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -65.93 -37.12 85.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 109.955 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -66.29 -31.49 72.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.436 -0.79 . . . . 0.0 110.145 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 104' ' ' GLU . 65.1 t -78.84 -42.63 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.427 -0.795 . . . . 0.0 110.156 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -33.4 74.48 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.417 -0.802 . . . . 0.0 110.216 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 m -79.98 -34.62 38.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.325 -0.86 . . . . 0.0 110.317 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.9 t -65.88 -44.26 85.85 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.295 -0.878 . . . . 0.0 110.146 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.99 -24.72 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.313 -0.867 . . . . 0.0 110.13 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.17 31.46 57.41 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.51 166.18 4.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.42 -1.047 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 59.52 5.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.368 -0.833 . . . . 0.0 110.212 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.6 mt -136.52 142.38 43.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.847 . . . . 0.0 110.205 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.4 p -100.71 174.83 5.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.313 -0.867 . . . . 0.0 110.206 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.26 -37.0 74.09 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.376 -0.828 . . . . 0.0 110.204 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.15 96.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.381 -0.824 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.44 -47.6 81.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.312 -0.867 . . . . 0.0 109.98 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.6 t -61.73 -26.93 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.344 -0.848 . . . . 0.0 109.922 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.93 -49.91 53.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.081 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -33.3 75.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 0.0 110.088 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.562 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.8 ttp -74.77 -33.41 62.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.409 -0.807 . . . . 0.0 110.067 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.455 HD21 HD22 ' A' ' 105' ' ' LEU . 4.5 mt -64.93 -44.69 88.66 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 110.02 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -62.18 -29.09 70.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.427 -0.796 . . . . 0.0 110.186 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -80.04 -39.57 29.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.63 HG22 ' CD ' ' A' ' 139' ' ' GLN . 59.6 t -87.49 -59.38 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 0.0 110.167 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.417 ' HB2' HD13 ' A' ' 135' ' ' ILE . 22.9 t -66.61 87.75 0.13 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.815 . . . . 0.0 110.186 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.23 -27.87 69.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.196 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -109.58 -106.71 3.03 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.44 -36.89 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.355 -1.085 . . . . 0.0 110.465 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -56.35 -97.26 0.01 OUTLIER Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.44 158.97 15.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.283 -1.128 . . . . 0.0 110.357 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.417 HD13 ' HB2' ' A' ' 129' ' ' SER . 83.9 mt -131.02 158.38 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 109.985 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -92.83 128.54 38.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.307 -0.871 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.711 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.7 pt -79.91 -9.86 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.367 -0.833 . . . . 0.0 110.616 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -59.99 -56.91 15.8 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.145 -0.972 . . . . 0.0 110.387 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.769 ' OE1' HD12 ' A' ' 143' ' ' LEU . 0.0 OUTLIER -73.44 -32.69 64.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.344 -0.847 . . . . 0.0 109.816 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.742 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 2.0 t80 -70.04 -41.25 74.48 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.329 -0.857 . . . . 0.0 109.894 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.78 94.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -0.879 . . . . 0.0 109.827 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.49 98.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.43 -0.794 . . . . 0.0 110.086 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.769 HD12 ' OE1' ' A' ' 139' ' ' GLN . 4.0 mt -62.43 -35.83 80.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.401 -0.812 . . . . 0.0 110.13 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.25 -66.93 0.79 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 110.154 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.497 1.896 0 O-C-N 121.488 -0.757 . . . . 0.0 110.674 179.868 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.428 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 121.328 0.585 . . . . 0.0 110.245 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -52.29 -50.07 62.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.486 -0.759 . . . . 0.0 109.753 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.428 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 13.6 pt-20 -54.18 -43.17 70.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.684 -0.635 . . . . 0.0 110.572 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 10.2 mm100 -68.43 -45.22 73.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.333 -0.854 . . . . 0.0 110.036 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.8 mt -65.46 -32.8 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.357 -0.84 . . . . 0.0 109.846 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.88 95.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.465 -0.772 . . . . 0.0 109.988 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.74 -49.99 70.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.433 -0.792 . . . . 0.0 110.144 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.2 m-85 -60.76 -41.01 94.62 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.35 -0.844 . . . . 0.0 110.19 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 2.7 ttmm -61.75 -38.34 87.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.328 -0.857 . . . . 0.0 110.206 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -61.08 -51.38 69.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 0.0 110.16 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.57 -34.25 73.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.435 -0.791 . . . . 0.0 110.112 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.47 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.0 t80 -68.61 -50.12 54.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.361 -0.837 . . . . 0.0 110.271 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.69 -29.94 70.42 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.287 -0.883 . . . . 0.0 110.203 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.82 -32.02 73.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.868 . . . . 0.0 110.238 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -102.77 25.4 9.27 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 0.0 110.226 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.3 -0.875 . . . . 0.0 110.113 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 p -133.43 145.99 50.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.324 -1.104 . . . . 0.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 16' ' ' PHE . 40.6 pt -126.44 157.54 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.332 -0.855 . . . . 0.0 110.219 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 m -84.18 160.16 20.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.181 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -39.94 84.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.39 -0.819 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.9 t -54.88 -24.77 24.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.382 -0.824 . . . . 0.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.824 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.9 mt-10 -95.3 -21.58 18.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.337 -0.852 . . . . 0.0 110.304 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 63' ' ' ILE . 60.9 tp -54.7 -53.65 52.14 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.27 -0.894 . . . . 0.0 110.434 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.07 77.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.247 -0.908 . . . . 0.0 110.173 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 m -69.32 -39.28 78.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.363 -0.836 . . . . 0.0 110.005 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 31' ' ' GLU . 99.9 t -62.05 -34.3 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.332 -0.855 . . . . 0.0 109.774 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.3 mtt -72.61 -35.37 67.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.386 -0.821 . . . . 0.0 109.797 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -66.15 -30.82 71.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.405 -0.809 . . . . 0.0 110.093 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.7 m -79.06 -35.96 41.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.407 -0.808 . . . . 0.0 110.142 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.81 -22.25 66.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.796 . . . . 0.0 110.278 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.22 34.82 0.99 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -126.25 176.63 6.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -1.06 . . . . 0.0 110.129 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -167.93 65.56 0.71 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.373 -0.829 . . . . 0.0 110.225 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.75 137.34 24.62 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.775 1.408 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.3 m -62.61 176.07 0.71 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.395 -0.815 . . . . 0.0 110.104 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -33.57 74.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.365 -0.834 . . . . 0.0 110.048 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.68 92.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.847 . . . . 0.0 109.972 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.62 -41.62 92.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.394 -0.816 . . . . 0.0 109.901 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 44' ' ' SER . 67.2 t -64.06 -38.73 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.4 -0.812 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -61.98 -38.78 89.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 109.894 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.99 -51.61 67.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.404 -0.81 . . . . 0.0 110.005 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.45 -43.57 98.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.393 -0.817 . . . . 0.0 109.99 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.5 mtt -67.59 -37.17 82.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.341 -0.849 . . . . 0.0 110.016 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -64.26 -27.71 69.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.4 -0.813 . . . . 0.0 110.201 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -86.65 -23.39 25.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -0.84 . . . . 0.0 110.204 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.694 HD13 ' CD1' ' A' ' 63' ' ' ILE . 3.7 mt -89.16 -50.2 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.863 . . . . 0.0 110.269 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.342 -0.849 . . . . 0.0 110.735 -179.377 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.204 0.526 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.694 ' CD1' HD13 ' A' ' 55' ' ' ILE . 76.5 mt -79.84 139.76 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.302 -0.874 . . . . 0.0 110.204 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.46 160.07 15.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.366 -0.834 . . . . 0.0 110.063 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.783 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.7 t80 -57.84 -26.78 62.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.329 -0.857 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 t -71.28 -55.27 8.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.402 -0.811 . . . . 0.0 110.069 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.43 ' O ' HD12 ' A' ' 71' ' ' LEU . 2.6 mt-10 -65.02 -31.61 72.93 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.36 -0.838 . . . . 0.0 110.079 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.38 -48.39 67.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.372 -0.83 . . . . 0.0 110.08 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.783 HD11 ' CE2' ' A' ' 65' ' ' PHE . 39.5 mt -59.37 -37.41 77.86 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.305 -0.872 . . . . 0.0 110.117 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.97 -47.21 72.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.511 -0.743 . . . . 0.0 110.051 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 67' ' ' GLU . 7.1 mt -62.97 -38.39 90.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.318 -0.864 . . . . 0.0 110.099 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.9 mmm -66.65 -42.0 87.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.19 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.324 -0.86 . . . . 0.0 110.254 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 121.21 0.528 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.57 -32.46 71.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.278 -0.889 . . . . 0.0 110.129 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -67.64 -34.17 76.43 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.443 -0.785 . . . . 0.0 110.068 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.479 HD23 HD13 ' A' ' 112' ' ' ILE . 18.3 mt -68.21 -48.88 64.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.45 -0.781 . . . . 0.0 110.066 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.02 -33.38 71.93 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.369 -0.832 . . . . 0.0 110.119 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.577 ' O ' HG23 ' A' ' 91' ' ' VAL . 14.6 mt-10 -68.03 -48.42 65.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.412 -0.805 . . . . 0.0 110.148 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.83 -44.55 92.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.353 -0.842 . . . . 0.0 110.023 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.466 ' CD1' HG22 ' A' ' 137' ' ' ILE . 3.5 m-85 -62.39 -40.36 96.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.343 -0.848 . . . . 0.0 110.083 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -60.86 -36.64 79.67 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.315 -0.866 . . . . 0.0 110.12 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 87' ' ' GLU . 72.0 t -68.36 -37.09 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.363 -0.836 . . . . 0.0 109.826 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.477 ' CD2' HG22 ' A' ' 108' ' ' VAL . 9.6 m-85 -77.91 -28.81 49.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.378 -0.826 . . . . 0.0 110.044 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.486 ' CG ' HG23 ' A' ' 100' ' ' ILE . 3.9 t0 -89.41 -32.28 17.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.412 -0.805 . . . . 0.0 110.411 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.51 -122.98 2.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.28 -0.887 . . . . 0.0 109.598 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -98.78 44.57 1.02 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.703 -1.248 . . . . 0.0 110.074 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.56 29.1 10.16 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.37 25.96 2.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.364 -1.08 . . . . 0.0 110.491 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.87 49.37 29.05 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 99' ' ' LEU . 7.0 mt -146.7 110.83 5.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.333 -1.099 . . . . 0.0 110.204 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.486 HG23 ' CG ' ' A' ' 93' ' ' ASP . 43.5 pt -122.69 160.15 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.332 -0.855 . . . . 0.0 110.244 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -79.77 160.31 26.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.42 28.32 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.347 -0.846 . . . . 0.0 110.539 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.51 -59.75 4.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.405 -0.81 . . . . 0.0 110.044 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 108' ' ' VAL . 35.8 mt-10 -58.99 -29.63 67.37 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.364 -0.835 . . . . 0.0 110.04 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.843 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.1 tp -68.44 -43.04 77.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.463 -0.773 . . . . 0.0 110.079 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.571 ' HE2' HD11 ' A' ' 125' ' ' LEU . 11.1 mmtt -64.85 -40.75 95.65 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.409 -0.807 . . . . 0.0 110.078 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -63.75 -33.78 76.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.371 -0.83 . . . . 0.0 110.155 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.9 t -71.94 -49.59 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.366 -0.834 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.0 -37.46 79.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.432 -0.793 . . . . 0.0 110.162 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.7 m -72.06 -42.76 65.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.418 -0.802 . . . . 0.0 110.183 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.7 t -62.08 -44.52 96.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.431 -0.793 . . . . 0.0 110.156 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.479 HD13 HD23 ' A' ' 85' ' ' LEU . 87.6 mt -62.44 -23.69 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.422 -0.799 . . . . 0.0 110.177 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.55 33.88 63.6 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.572 ' HB3' HD12 ' A' ' 116' ' ' LEU . 2.9 mm-40 -57.6 161.41 3.62 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.444 -1.033 . . . . 0.0 110.371 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.16 57.26 4.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.397 -0.814 . . . . 0.0 110.162 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.572 HD12 ' HB3' ' A' ' 114' ' ' GLU . 10.6 mt -130.18 167.86 17.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 0.0 110.395 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 121' ' ' VAL . 22.5 p -124.79 -167.7 1.71 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.4 -0.813 . . . . 0.0 110.271 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.98 -33.12 63.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.386 -0.821 . . . . 0.0 110.2 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.88 79.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.374 -0.829 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.63 -46.22 66.71 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.331 -0.856 . . . . 0.0 110.115 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 117' ' ' THR . 93.8 t -64.04 -25.98 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.408 -0.807 . . . . 0.0 109.948 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.34 -49.27 28.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.027 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.09 -32.2 72.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.393 -0.817 . . . . 0.0 110.03 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.479 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 23.1 ttp -72.67 -28.84 62.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.793 . . . . 0.0 110.026 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.571 HD11 ' HE2' ' A' ' 106' ' ' LYS . 8.0 mt -74.57 -38.38 62.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.446 -0.784 . . . . 0.0 110.093 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -69.03 -27.9 66.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -0.887 . . . . 0.0 110.231 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -80.16 -26.53 39.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.89 . . . . 0.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.657 HG12 HG23 ' A' ' 135' ' ' ILE . 58.5 t -98.97 -30.74 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.383 -0.823 . . . . 0.0 110.144 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.4 t -63.54 140.95 58.92 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.321 -0.862 . . . . 0.0 110.221 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -162.99 -43.47 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.403 -0.811 . . . . 0.0 110.22 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -73.96 -81.49 0.43 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.83 -70.86 0.13 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.398 -1.06 . . . . 0.0 110.258 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.96 32.77 1.99 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -130.19 130.27 44.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.347 -1.09 . . . . 0.0 110.169 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.657 HG23 HG12 ' A' ' 128' ' ' VAL . 80.4 mt -134.08 143.26 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.37 -0.831 . . . . 0.0 110.217 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -82.13 149.11 28.15 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.36 -0.838 . . . . 0.0 110.082 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 89' ' ' PHE . 21.1 pt -80.04 -21.51 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.36 -0.838 . . . . 0.0 110.364 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -59.44 -54.91 41.18 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.249 -0.907 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.444 ' O ' HD12 ' A' ' 143' ' ' LEU . 5.5 mm100 -62.14 -43.43 98.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.308 -0.87 . . . . 0.0 110.204 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.843 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.55 -45.14 84.53 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.403 -0.811 . . . . 0.0 109.975 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.91 -33.07 72.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.324 -0.86 . . . . 0.0 110.185 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.95 -27.5 39.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.29 -0.881 . . . . 0.0 110.187 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 139' ' ' GLN . 0.6 OUTLIER -70.25 -33.09 71.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.416 -0.803 . . . . 0.0 110.188 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.55 HD22 HD11 ' A' ' 116' ' ' LEU . 90.4 mt -73.16 -69.27 0.43 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.421 -0.799 . . . . 0.0 110.159 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.308 -0.87 . . . . 0.0 110.548 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.444 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.221 0.534 . . . . 0.0 110.163 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.8 -49.72 62.17 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.695 0.759 . . . . 0.0 109.68 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.444 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 11.0 pt-20 -57.51 -42.68 83.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.786 -0.571 . . . . 0.0 110.456 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 32.2 mt-30 -69.88 -45.07 68.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.417 -0.802 . . . . 0.0 109.923 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -66.0 -28.17 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.513 -0.742 . . . . 0.0 109.81 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.26 -38.69 71.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.835 . . . . 0.0 109.87 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -64.82 -48.49 74.2 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 0.0 110.11 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.6 m-85 -62.03 -37.89 86.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.255 -0.903 . . . . 0.0 109.934 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 11.3 ttmt -61.07 -40.93 95.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.42 -0.8 . . . . 0.0 110.221 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.22 -50.28 72.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -0.825 . . . . 0.0 110.059 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.45 76.99 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 110.061 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE1' HG23 ' A' ' 27' ' ' ILE . 16.8 t80 -69.34 -47.07 65.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.818 . . . . 0.0 110.179 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -28.93 70.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.423 -0.798 . . . . 0.0 110.174 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.25 -37.73 84.15 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.347 -0.846 . . . . 0.0 110.169 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -104.88 26.74 8.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.34 -0.85 . . . . 0.0 110.169 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.407 -0.808 . . . . 0.0 110.123 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -151.32 159.39 44.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.464 -1.021 . . . . 0.0 110.105 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.511 HG23 ' CE1' ' A' ' 16' ' ' PHE . 46.1 pt -124.11 159.87 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.433 -0.792 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -90.29 160.24 16.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.347 -0.846 . . . . 0.0 110.362 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -35.82 73.37 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.343 -0.848 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.02 -25.64 61.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.382 -0.824 . . . . 0.0 110.299 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.816 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.1 mt-10 -99.99 -15.25 18.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.388 -0.82 . . . . 0.0 110.502 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.636 HD22 HD13 ' A' ' 55' ' ' ILE . 60.5 tp -57.39 -46.53 83.33 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.201 -0.937 . . . . 0.0 110.404 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.598 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -60.41 -46.26 90.63 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.296 -0.878 . . . . 0.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.2 m -62.55 -38.06 88.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.362 -0.836 . . . . 0.0 110.09 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 31' ' ' GLU . 93.1 t -59.11 -41.49 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.366 -0.834 . . . . 0.0 109.831 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.0 mtt -68.95 -33.85 74.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.403 -0.81 . . . . 0.0 109.762 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -73.58 -37.06 65.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 110.042 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.77 -33.98 71.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.469 -0.769 . . . . 0.0 110.004 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.86 -36.57 83.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -0.788 . . . . 0.0 110.056 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.09 -12.2 1.64 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 mt -81.11 -176.48 5.97 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.144 -1.209 . . . . 0.0 110.165 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 m -168.94 66.65 0.64 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.408 -0.808 . . . . 0.0 110.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.74 137.75 25.27 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 O-C-N 123.738 1.388 . . . . 0.0 110.387 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.0 m -61.81 175.08 0.7 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 110.155 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.13 -27.33 68.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.255 -0.903 . . . . 0.0 110.115 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.87 68.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.375 -0.828 . . . . 0.0 110.102 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -66.15 -36.74 83.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.439 -0.788 . . . . 0.0 110.194 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.598 HG13 ' HB2' ' A' ' 33' ' ' ALA . 64.5 t -66.8 -40.5 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.367 -0.833 . . . . 0.0 110.081 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.84 -42.04 98.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.425 -0.797 . . . . 0.0 110.068 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -59.96 -47.95 83.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 0.0 110.045 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 55' ' ' ILE . 6.9 mt -63.44 -46.99 83.74 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.429 -0.794 . . . . 0.0 109.963 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.9 mtt -64.34 -30.03 71.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.377 -0.827 . . . . 0.0 109.874 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.07 -42.35 97.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.453 -0.779 . . . . 0.0 109.896 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -67.05 -40.8 87.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.403 -0.81 . . . . 0.0 109.934 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.636 HD13 HD22 ' A' ' 32' ' ' LEU . 6.7 mt -75.35 -59.5 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 0.0 109.875 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 110.049 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.168 0.509 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.585 ' CD1' HD22 ' A' ' 32' ' ' LEU . 67.0 mt -98.39 119.84 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.209 -0.932 . . . . 0.0 110.351 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.87 160.16 17.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.394 -0.816 . . . . 0.0 109.85 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.666 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.9 t80 -56.3 -25.24 47.87 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.29 -0.882 . . . . 0.0 110.492 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.4 p -71.89 -51.05 24.14 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.277 -0.89 . . . . 0.0 110.15 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.53 -35.26 78.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.37 -0.831 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -63.36 -47.09 83.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.37 -0.831 . . . . 0.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.666 HD11 ' CE2' ' A' ' 65' ' ' PHE . 43.7 mt -61.24 -39.73 91.41 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.289 -0.882 . . . . 0.0 110.0 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.5 -46.07 70.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.419 -0.8 . . . . 0.0 110.047 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.3 mt -63.45 -36.19 82.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.413 -0.804 . . . . 0.0 110.136 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.8 mmm -67.74 -40.8 84.13 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.334 -0.854 . . . . 0.0 110.139 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.354 -0.841 . . . . 0.0 110.12 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.174 0.512 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -59.47 -27.14 65.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.38 -0.825 . . . . 0.0 110.213 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.03 -41.22 77.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 110.068 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -42.66 86.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.277 -0.889 . . . . 0.0 110.176 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.69 -35.95 81.35 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.45 -0.781 . . . . 0.0 110.018 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.93 -46.14 69.0 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.824 . . . . 0.0 110.093 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.1 99.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.302 -0.873 . . . . 0.0 110.031 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.488 ' HB3' HD13 ' A' ' 137' ' ' ILE . 9.3 m-85 -64.57 -32.55 74.25 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.377 -0.827 . . . . 0.0 110.168 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -65.52 -40.13 92.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.328 -0.858 . . . . 0.0 110.131 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.88 -36.59 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.375 -0.828 . . . . 0.0 110.038 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.97 -32.03 68.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 110.162 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.91 137.67 35.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.399 -0.813 . . . . 0.0 110.197 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -74.88 -45.37 43.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.165 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -86.1 -176.35 5.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.364 -0.835 . . . . 0.0 110.212 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.06 33.43 5.73 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.63 -31.85 10.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.348 -1.089 . . . . 0.0 110.2 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.81 67.63 0.8 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 99' ' ' LEU . 31.1 mt -144.69 110.37 5.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.35 -1.088 . . . . 0.0 110.172 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 pt -132.34 160.05 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.362 -0.836 . . . . 0.0 110.358 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.78 160.12 26.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.378 -0.826 . . . . 0.0 110.201 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.23 -28.37 58.18 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.294 -0.879 . . . . 0.0 110.353 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.59 -56.84 11.33 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.422 -0.799 . . . . 0.0 110.082 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.659 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.4 mt-10 -61.61 -32.54 72.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.825 . . . . 0.0 110.036 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.782 HD22 HD21 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -67.29 -37.52 83.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.402 -0.812 . . . . 0.0 110.103 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -72.16 -33.88 68.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -70.32 -29.89 66.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 110.175 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 104' ' ' GLU . 62.9 t -79.16 -33.04 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.434 -0.791 . . . . 0.0 110.185 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.59 -28.14 60.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.39 -0.819 . . . . 0.0 110.267 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -80.03 -41.74 25.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.356 -0.84 . . . . 0.0 110.358 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -42.56 99.39 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.282 -0.886 . . . . 0.0 110.244 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 108' ' ' VAL . 74.4 mt -62.75 -27.36 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.337 -0.852 . . . . 0.0 110.078 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.17 32.72 47.36 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.45 161.17 12.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.402 -1.057 . . . . 0.0 110.17 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 60.62 6.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.367 -0.833 . . . . 0.0 110.16 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.1 mt -136.78 134.84 37.48 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.387 -0.821 . . . . 0.0 110.217 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.5 p -93.53 178.79 5.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.858 . . . . 0.0 110.194 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -33.22 74.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.88 95.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.336 -0.852 . . . . 0.0 110.166 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -65.91 -48.2 72.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.373 -0.829 . . . . 0.0 110.197 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.72 -29.67 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.375 -0.828 . . . . 0.0 110.046 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -48.94 56.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.315 -0.866 . . . . 0.0 110.053 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.51 -30.12 70.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.44 -0.788 . . . . 0.0 110.104 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.6 ttp -74.43 -32.17 62.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.344 -0.847 . . . . 0.0 110.029 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.782 HD21 HD22 ' A' ' 105' ' ' LEU . 22.5 mt -69.88 -40.89 75.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.452 -0.78 . . . . 0.0 110.195 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -61.91 -31.13 71.4 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.396 -0.815 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -80.0 -43.63 21.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.276 -0.89 . . . . 0.0 110.377 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.603 HG12 HG23 ' A' ' 135' ' ' ILE . 61.5 t -81.92 -56.19 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.385 -0.822 . . . . 0.0 110.25 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t -59.43 108.79 0.76 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.316 -0.865 . . . . 0.0 110.405 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -105.64 -39.69 6.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.325 -0.86 . . . . 0.0 110.103 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 132' ' ' SER . . . -84.54 -8.55 82.95 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 131' ' ' GLY . 1.1 t 70.21 -4.18 1.62 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.394 -1.062 . . . . 0.0 111.256 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.83 -77.15 1.26 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -109.69 146.76 34.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.463 -1.021 . . . . 0.0 110.149 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.603 HG23 HG12 ' A' ' 128' ' ' VAL . 83.9 mt -113.56 153.27 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.313 -0.867 . . . . 0.0 110.192 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -93.61 117.65 30.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.311 -0.868 . . . . 0.0 110.235 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' A' ' 89' ' ' PHE . 25.2 pt -60.4 -20.2 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.383 -0.823 . . . . 0.0 110.493 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.23 -52.8 64.07 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.308 -0.87 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -68.86 -40.47 79.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.346 -0.846 . . . . 0.0 110.178 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.525 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -66.55 -45.7 78.5 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.299 -0.875 . . . . 0.0 110.21 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.43 72.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.852 . . . . 0.0 110.161 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.16 62.44 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.261 -0.899 . . . . 0.0 110.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 mt -68.74 -32.3 71.98 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.32 -0.863 . . . . 0.0 110.095 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.8 mt -78.38 -28.18 46.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.857 . . . . 0.0 110.292 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.366 -0.834 . . . . 0.0 110.289 -179.929 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.541 ' O ' HD12 ' A' ' 9' ' ' ILE . 5.1 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.175 0.512 . . . . 0.0 109.858 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.85 -32.63 72.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.31 -0.869 . . . . 0.0 110.179 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -70.35 -45.72 65.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.853 . . . . 0.0 109.969 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -68.74 -40.43 79.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.387 -0.82 . . . . 0.0 109.982 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 5' ' ' THR . 38.0 mt -67.35 -30.12 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -0.846 . . . . 0.0 109.862 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.28 69.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.401 -0.812 . . . . 0.0 109.903 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -66.06 -49.18 68.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.426 -0.796 . . . . 0.0 110.037 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -60.39 -38.04 82.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.314 -0.866 . . . . 0.0 110.019 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.0 ttmt -60.85 -39.64 89.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.385 -0.822 . . . . 0.0 110.062 179.752 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -62.35 -50.22 72.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.43 -0.793 . . . . 0.0 109.998 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.84 -34.08 71.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.419 -0.801 . . . . 0.0 110.043 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -68.86 -39.55 79.8 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.381 -0.825 . . . . 0.0 110.068 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.69 65.67 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.377 -0.827 . . . . 0.0 110.136 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.19 -31.91 71.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.34 -0.85 . . . . 0.0 110.181 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' HG22 ' A' ' 27' ' ' ILE . 88.7 m-85 -111.35 30.57 6.81 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.389 -0.819 . . . . 0.0 110.087 179.957 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 p -153.57 140.37 19.07 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.367 -1.078 . . . . 0.0 110.214 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 19' ' ' PHE . 45.3 pt -122.75 153.56 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.336 -0.852 . . . . 0.0 110.176 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 m -83.46 160.15 21.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.366 -0.834 . . . . 0.0 110.304 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -36.68 71.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.377 -0.827 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.4 p -58.39 -31.77 67.98 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.375 -0.828 . . . . 0.0 110.262 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 35' ' ' VAL . 21.2 mt-10 -89.49 -17.59 28.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.424 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.53 -52.64 64.02 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.277 -0.889 . . . . 0.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.82 72.53 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.332 -0.855 . . . . 0.0 110.162 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.5 m -69.66 -38.95 77.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.345 -0.847 . . . . 0.0 110.011 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 31' ' ' GLU . 93.6 t -61.36 -38.54 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.382 -0.824 . . . . 0.0 109.843 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 61.0 mtt -70.3 -34.03 72.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.379 -0.826 . . . . 0.0 109.981 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -64.86 -33.2 75.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.418 -0.801 . . . . 0.0 110.013 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.52 -34.75 40.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.391 -0.818 . . . . 0.0 110.232 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.8 mt -64.7 -24.83 67.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.391 -0.818 . . . . 0.0 110.152 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.54 37.09 0.7 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -125.7 176.05 7.18 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -1.077 . . . . 0.0 110.187 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -167.28 64.83 0.75 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.364 -0.835 . . . . 0.0 110.161 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -74.53 137.43 22.86 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.767 1.404 . . . . 0.0 110.453 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.4 m -63.22 178.99 0.45 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.426 -0.796 . . . . 0.0 110.052 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.46 -31.48 72.21 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.258 -0.901 . . . . 0.0 110.059 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.49 91.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.41 -0.806 . . . . 0.0 110.112 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.73 -42.66 90.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.346 -0.846 . . . . 0.0 109.955 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 44' ' ' SER . 57.4 t -62.54 -37.71 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.437 -0.789 . . . . 0.0 109.881 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -64.26 -38.23 90.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.497 -0.752 . . . . 0.0 109.981 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -62.06 -48.26 81.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 0.0 110.045 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.484 ' O ' HD12 ' A' ' 55' ' ' ILE . 9.3 mt -61.55 -45.08 95.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.371 -0.83 . . . . 0.0 110.072 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.2 mtt -66.54 -28.1 68.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.353 -0.842 . . . . 0.0 109.958 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -66.46 -39.63 88.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.413 -0.804 . . . . 0.0 109.977 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -74.55 -29.58 61.42 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 110.013 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.517 HD13 HD11 ' A' ' 63' ' ' ILE . 11.3 mt -87.32 -60.87 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.417 -0.802 . . . . 0.0 109.98 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.351 -0.843 . . . . 0.0 110.343 -179.761 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.12 0.485 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.517 HD11 HD13 ' A' ' 55' ' ' ILE . 76.0 mt -84.36 118.14 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.376 -0.828 . . . . 0.0 110.294 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -85.99 160.12 19.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.42 -0.8 . . . . 0.0 110.0 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.759 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.6 t80 -56.53 -26.43 54.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.331 -0.856 . . . . 0.0 110.404 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.5 p -72.93 -50.81 21.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.351 -0.843 . . . . 0.0 110.073 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.78 -29.24 69.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.824 . . . . 0.0 110.191 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -71.19 -48.75 49.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.401 -0.812 . . . . 0.0 110.171 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.759 HD11 ' CE2' ' A' ' 65' ' ' PHE . 40.6 mt -60.2 -32.74 71.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.367 -0.833 . . . . 0.0 110.067 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.64 -48.18 49.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -0.831 . . . . 0.0 110.101 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.32 -39.4 86.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.311 -0.868 . . . . 0.0 110.031 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.0 mmm -67.3 -33.15 74.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.33 -0.856 . . . . 0.0 109.925 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.109 179.932 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.536 ' HG2' HD11 ' A' ' 86' ' ' LEU . 22.8 tt0 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 121.183 0.516 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.505 ' HA ' HD12 ' A' ' 86' ' ' LEU . 5.6 mm-40 -52.91 -43.65 66.36 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.319 -0.863 . . . . 0.0 110.392 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -64.51 -44.37 91.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.308 -0.87 . . . . 0.0 109.93 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.433 HD21 HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -62.71 -40.41 97.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 0.0 110.046 179.868 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.536 HD11 ' HG2' ' A' ' 82' ' ' GLU . 26.1 mt -63.12 -31.85 73.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.01 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.19 -50.16 61.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.07 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.73 92.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.329 -0.857 . . . . 0.0 110.134 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.639 ' HB3' HD13 ' A' ' 137' ' ' ILE . 10.8 m-85 -62.38 -32.9 73.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.396 -0.815 . . . . 0.0 110.116 179.9 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -64.06 -43.5 95.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.376 -0.827 . . . . 0.0 110.097 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.41 -45.65 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 110.082 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.486 ' CZ ' HG22 ' A' ' 108' ' ' VAL . 11.2 m-85 -64.92 -28.95 69.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 110.123 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 95' ' ' ASN . 5.7 t0 -61.84 -28.16 69.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.39 -0.819 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 -68.69 0.11 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.718 . . . . 0.0 110.649 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' ASP . 5.5 m120 -72.25 -76.08 0.12 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.237 -0.914 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.31 45.92 0.05 OUTLIER Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -119.98 7.12 10.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.376 -1.073 . . . . 0.0 110.53 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.68 53.35 46.03 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.1 mt -146.8 112.36 5.61 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.356 -1.085 . . . . 0.0 110.345 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.659 HD11 HD12 ' A' ' 105' ' ' LEU . 41.5 pt -132.28 160.2 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 t -79.93 160.19 26.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.289 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.99 -35.31 69.04 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.336 -0.853 . . . . 0.0 110.227 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.71 -50.02 72.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.095 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.747 ' O ' HG23 ' A' ' 108' ' ' VAL . 10.5 mt-10 -64.17 -35.52 81.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.369 -0.832 . . . . 0.0 109.936 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.792 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -66.21 -39.49 89.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.408 -0.808 . . . . 0.0 110.001 179.783 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -46.95 77.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.362 -0.836 . . . . 0.0 110.185 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -59.97 -33.12 71.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.0 t -75.74 -38.35 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.429 -0.795 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -68.88 -26.69 65.25 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.293 -0.879 . . . . 0.0 110.168 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.6 m -79.11 -30.46 43.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.32 -0.862 . . . . 0.0 110.216 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 m -76.48 -37.35 56.99 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.292 -0.88 . . . . 0.0 110.228 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.433 HD13 HD21 ' A' ' 85' ' ' LEU . 71.8 mt -62.04 -26.92 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.134 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.13 37.13 19.41 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.92 -7.22 52.92 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.313 -1.11 . . . . 0.0 110.483 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.65 43.28 30.43 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.174 -0.954 . . . . 0.0 110.367 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 120' ' ' GLU . 7.4 mt -96.79 115.64 27.78 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.113 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.8 p -62.19 165.18 6.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.37 -0.831 . . . . 0.0 110.124 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.3 -33.66 75.09 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.287 -0.883 . . . . 0.0 110.249 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.13 81.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.2 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.464 ' HB3' HD22 ' A' ' 116' ' ' LEU . 5.6 mm-40 -66.28 -51.33 58.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.412 -0.805 . . . . 0.0 110.142 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.57 -29.55 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.39 -0.819 . . . . 0.0 110.122 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.22 -41.05 86.39 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.171 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.28 -28.03 62.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.329 -0.857 . . . . 0.0 110.188 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.544 ' HG2' HD13 ' A' ' 143' ' ' LEU . 4.8 mtp -79.75 -31.23 40.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.384 -0.822 . . . . 0.0 110.173 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.0 mt -72.55 -42.27 64.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.283 -0.886 . . . . 0.0 110.149 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -66.15 -34.27 77.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.371 -0.831 . . . . 0.0 110.165 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -80.03 -29.25 39.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.402 -0.811 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 124' ' ' MET . 63.8 t -94.53 -61.81 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.407 -0.808 . . . . 0.0 110.122 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.4 t -61.4 139.31 58.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.32 -0.862 . . . . 0.0 110.208 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -129.32 -45.05 1.23 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.303 -0.873 . . . . 0.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.54 78.46 0.02 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.2 t -147.26 -53.76 0.22 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.334 -1.098 . . . . 0.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 164.47 -77.04 0.15 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -108.8 156.07 20.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.34 -1.094 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 83.5 mt -96.83 159.95 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.373 -0.829 . . . . 0.0 110.184 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -89.06 133.39 34.38 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.355 -0.841 . . . . 0.0 110.254 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 89' ' ' PHE . 4.6 pt -76.72 -17.89 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.355 -0.84 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -57.11 14.03 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.243 -0.911 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -63.21 -41.19 99.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.306 -0.871 . . . . 0.0 110.202 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.792 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -67.88 -39.69 83.66 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.35 -0.844 . . . . 0.0 110.096 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.86 -31.53 72.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.351 -0.843 . . . . 0.0 110.212 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.64 -34.58 40.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.544 HD13 ' HG2' ' A' ' 124' ' ' MET . 10.3 mt -65.52 -32.78 74.57 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.397 -0.814 . . . . 0.0 110.198 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.482 HD21 ' HE1' ' A' ' 124' ' ' MET . 84.9 mt -80.04 -48.35 13.43 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.369 -0.832 . . . . 0.0 110.235 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.388 -0.82 . . . . 0.0 110.191 -179.921 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.168 0.509 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.91 -40.95 95.07 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.288 -0.883 . . . . 0.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.83 -45.26 93.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.294 -0.879 . . . . 0.0 110.083 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.4 mm100 -67.9 -45.03 75.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 110.088 179.868 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.09 -29.11 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.307 -0.871 . . . . 0.0 110.031 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.24 -38.27 78.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.387 -0.821 . . . . 0.0 110.036 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.42 -47.38 70.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.421 -0.8 . . . . 0.0 110.189 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 22.4 m-85 -62.6 -35.33 79.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.349 -0.845 . . . . 0.0 109.99 179.798 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.63 -42.87 99.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.371 -0.831 . . . . 0.0 110.223 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.75 -46.34 88.51 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.337 -0.852 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.48 -27.82 62.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.287 -0.883 . . . . 0.0 110.294 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' A' ' 27' ' ' ILE . 8.8 t80 -79.29 -35.3 41.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.269 -0.894 . . . . 0.0 110.265 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.64 -28.32 60.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.865 . . . . 0.0 110.149 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 18' ' ' LEU . 18.4 mt -64.78 -36.61 84.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.387 -0.821 . . . . 0.0 110.174 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -99.96 23.71 9.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.389 -0.819 . . . . 0.0 110.183 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.32 -0.862 . . . . 0.0 110.138 179.965 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -160.0 153.63 22.59 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.318 -1.107 . . . . 0.0 110.305 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.57 HG23 ' CE1' ' A' ' 16' ' ' PHE . 38.8 pt -125.21 160.16 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.418 -0.801 . . . . 0.0 110.134 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -79.98 159.98 26.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.305 -0.872 . . . . 0.0 110.316 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -63.76 -40.09 95.86 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.43 -0.794 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 t -56.53 -26.89 56.13 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.437 -0.789 . . . . 0.0 110.401 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.832 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.9 mt-10 -90.78 -18.84 24.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.298 -0.876 . . . . 0.0 110.324 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 63' ' ' ILE . 60.9 tp -55.82 -52.39 64.16 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.28 -0.887 . . . . 0.0 110.373 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.03 82.89 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.345 -0.847 . . . . 0.0 110.153 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.3 m -68.09 -40.09 82.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 110.036 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 31' ' ' GLU . 92.0 t -61.12 -34.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.301 -0.874 . . . . 0.0 109.918 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.9 mtt -70.24 -39.23 75.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.455 -0.778 . . . . 0.0 109.903 179.757 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -63.72 -35.41 80.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.403 -0.811 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -34.86 52.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.386 -0.821 . . . . 0.0 110.057 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.71 -23.99 66.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.17 32.9 1.19 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.8 mt -122.21 178.28 5.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -1.117 . . . . 0.0 110.23 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -169.77 67.76 0.59 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.377 -0.827 . . . . 0.0 110.098 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.48 140.49 30.1 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.781 1.411 . . . . 0.0 110.572 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.06 168.99 2.92 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.357 -0.839 . . . . 0.0 110.047 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -59.96 -26.75 66.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.322 -0.861 . . . . 0.0 110.171 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.53 -42.64 70.95 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.418 -0.801 . . . . 0.0 110.086 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -65.56 -40.31 92.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.846 . . . . 0.0 109.989 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.5 t -63.11 -40.25 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.384 -0.822 . . . . 0.0 109.901 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -61.16 -42.88 99.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.414 -0.804 . . . . 0.0 110.021 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.35 -48.85 79.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.417 -0.802 . . . . 0.0 110.076 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.08 -44.42 95.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.383 -0.823 . . . . 0.0 109.988 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.5 mtt -68.0 -29.72 68.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.395 -0.816 . . . . 0.0 109.857 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -65.31 -37.2 86.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.416 -0.803 . . . . 0.0 109.819 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -77.49 -38.25 49.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.415 -0.803 . . . . 0.0 109.857 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.6 mt -81.75 -65.68 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.412 -0.805 . . . . 0.0 109.876 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.431 -0.793 . . . . 0.0 110.222 179.957 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.289 0.566 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CD1' HD22 ' A' ' 32' ' ' LEU . 71.9 mt -82.32 130.75 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.352 -0.843 . . . . 0.0 110.166 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -91.03 159.96 15.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 0.0 110.132 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.818 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.0 t80 -58.91 -27.73 65.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.346 -0.846 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 t -69.76 -55.39 10.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.37 -0.831 . . . . 0.0 110.09 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.12 -32.51 73.91 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.321 -0.862 . . . . 0.0 110.082 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -66.32 -49.42 67.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.41 -0.806 . . . . 0.0 110.121 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.818 HD11 ' CE2' ' A' ' 65' ' ' PHE . 37.1 mt -59.91 -32.66 70.97 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.368 -0.833 . . . . 0.0 110.173 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.0 -49.79 41.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.445 -0.785 . . . . 0.0 110.092 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.46 -35.73 80.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.381 -0.825 . . . . 0.0 109.985 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.3 mmm -66.8 -44.42 81.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.359 -0.838 . . . . 0.0 110.058 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.409 -0.807 . . . . 0.0 110.034 179.803 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 86' ' ' LEU . 12.1 pt-20 . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.231 0.539 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -64.08 -42.76 96.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.153 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -59.95 -41.59 92.21 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.279 -0.888 . . . . 0.0 110.176 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.15 -49.46 77.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 109.868 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 82' ' ' GLU . 4.0 mt -67.21 -27.28 67.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.424 -0.797 . . . . 0.0 109.757 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.4 tt0 -70.25 -38.52 75.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.438 -0.789 . . . . 0.0 109.954 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.01 -44.66 53.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.389 -0.819 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.509 ' HB3' HD13 ' A' ' 137' ' ' ILE . 16.3 m-85 -62.9 -37.92 88.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.322 -0.861 . . . . 0.0 110.058 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -65.72 -43.56 88.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 110.109 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 87' ' ' GLU . 66.3 t -64.65 -27.48 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.415 -0.803 . . . . 0.0 110.064 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -78.84 -36.06 43.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.374 -0.829 . . . . 0.0 110.217 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.03 145.51 27.66 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.293 -0.879 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 96' ' ' GLY . 0.2 OUTLIER -72.12 144.19 48.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.362 -0.837 . . . . 0.0 110.218 179.896 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 65.28 -69.5 0.1 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.545 -0.722 . . . . 0.0 110.611 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 145.1 45.94 0.04 OUTLIER Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -45.03 14.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.307 -1.114 . . . . 0.0 110.211 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.23 32.37 4.33 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.2 mt -126.17 102.31 7.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -1.042 . . . . 0.0 110.236 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.9 pt -124.88 160.26 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.358 -0.839 . . . . 0.0 110.209 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.8 m -79.82 160.24 26.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.308 -0.87 . . . . 0.0 110.145 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.4 -30.77 41.77 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.317 -0.864 . . . . 0.0 110.478 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.15 -53.13 54.36 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.376 -0.827 . . . . 0.0 110.039 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.784 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.6 mt-10 -60.52 -40.47 91.59 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.342 -0.849 . . . . 0.0 110.031 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.78 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -62.56 -39.83 94.9 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.354 -0.841 . . . . 0.0 110.129 179.913 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -65.03 -47.05 78.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.411 -0.805 . . . . 0.0 110.124 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -61.85 -28.45 69.5 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.415 -0.803 . . . . 0.0 110.157 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 104' ' ' GLU . 90.0 t -77.46 -44.01 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.399 -0.813 . . . . 0.0 110.158 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -32.7 70.52 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.349 -0.844 . . . . 0.0 110.272 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.8 m -79.93 -32.63 40.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.381 -0.825 . . . . 0.0 110.217 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -72.38 -38.37 68.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 0.0 110.264 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.641 HD11 HG12 ' A' ' 108' ' ' VAL . 57.0 mt -63.54 -27.23 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.319 -0.863 . . . . 0.0 110.122 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.12 40.25 11.76 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 116' ' ' LEU . 3.2 mm-40 -85.31 4.07 36.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.398 -1.06 . . . . 0.0 110.571 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.585 ' O ' ' C ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER 67.69 -64.48 0.27 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.446 -0.784 . . . . 0.0 110.343 -179.643 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.585 ' C ' ' O ' ' A' ' 115' ' ' LYS . 15.3 mt 11.77 98.14 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 121.218 0.532 . . . . 0.0 112.334 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.4 p -56.72 165.64 1.14 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.335 -0.853 . . . . 0.0 110.27 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -60.24 -30.37 69.37 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.305 -0.872 . . . . 0.0 110.202 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.18 -32.54 73.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.349 -0.845 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.434 ' HB3' HD22 ' A' ' 116' ' ' LEU . 5.1 mm-40 -66.9 -52.0 48.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.379 -0.826 . . . . 0.0 110.115 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.423 HG12 HD12 ' A' ' 125' ' ' LEU . 93.8 t -61.55 -27.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.93 179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -69.72 -47.79 61.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.378 -0.826 . . . . 0.0 109.954 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.81 -37.21 81.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.327 -0.858 . . . . 0.0 109.971 179.764 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.619 ' HE1' HD21 ' A' ' 144' ' ' LEU . 1.6 mtp -71.4 -36.72 71.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.418 -0.801 . . . . 0.0 109.93 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.423 HD12 HG12 ' A' ' 121' ' ' VAL . 7.4 mt -61.54 -43.27 99.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.444 -0.785 . . . . 0.0 110.021 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -55.13 -48.94 72.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.362 -0.836 . . . . 0.0 109.763 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -69.87 -21.9 63.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.775 . . . . 0.0 109.677 179.15 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.715 HG11 ' HD2' ' A' ' 140' ' ' PHE . 82.9 t -112.2 50.77 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.237 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.0 p -146.84 28.05 1.05 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.932 -1.105 . . . . 0.0 110.331 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.74 58.01 1.62 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.37 -0.832 . . . . 0.0 110.182 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -135.62 -88.93 0.27 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.5 t -166.25 -68.1 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.296 -1.12 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.81 30.51 1.24 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -155.06 160.11 40.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.343 -1.092 . . . . 0.0 110.137 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.612 HG23 HG12 ' A' ' 128' ' ' VAL . 83.8 mt -133.35 159.64 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.374 -0.829 . . . . 0.0 110.153 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.515 ' HB3' ' NE2' ' A' ' 139' ' ' GLN . 9.6 t-20 -104.53 141.19 36.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.395 -0.816 . . . . 0.0 110.257 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.509 HD13 ' HB3' ' A' ' 89' ' ' PHE . 13.0 pt -80.04 -20.24 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.404 -0.81 . . . . 0.0 110.613 -179.841 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.49 -66.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.111 -0.993 . . . . 0.0 110.428 -179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.515 ' NE2' ' HB3' ' A' ' 136' ' ' ASN . 3.5 pt20 -55.38 -44.01 75.68 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.222 -0.923 . . . . 0.0 110.528 -179.79 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.78 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 1.4 t80 -61.09 -51.29 69.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -0.865 . . . . 0.0 110.08 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.27 -28.79 67.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.384 -0.822 . . . . 0.0 110.132 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.52 -38.4 55.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.451 -0.781 . . . . 0.0 109.996 179.831 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.14 -37.06 81.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 110.086 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.619 HD21 ' HE1' ' A' ' 124' ' ' MET . 87.7 mt -73.28 -24.3 60.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.433 -0.792 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 110.233 179.977 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.16 0.505 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.0 -42.85 81.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.385 -0.822 . . . . 0.0 110.287 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.0 -48.65 79.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.395 -0.816 . . . . 0.0 109.696 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.435 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.3 mt-30 -65.22 -46.78 79.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.452 -0.78 . . . . 0.0 109.809 179.565 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.5 mt -62.12 -28.42 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 109.919 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.65 77.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.293 -0.879 . . . . 0.0 109.748 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.5 -49.67 65.79 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.403 -0.811 . . . . 0.0 110.292 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.529 ' HB2' HD21 ' A' ' 69' ' ' LEU . 15.1 m-85 -60.55 -31.3 70.41 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.232 -0.918 . . . . 0.0 109.671 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.7 ttmm -65.55 -43.16 90.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.459 -0.776 . . . . 0.0 110.08 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.23 -44.15 97.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.442 -0.786 . . . . 0.0 110.17 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.58 -28.3 61.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.355 -0.84 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -77.23 -41.82 39.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.216 -0.927 . . . . 0.0 110.152 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.56 -27.71 64.34 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.374 -0.829 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 18' ' ' LEU . 15.7 mt -65.3 -31.5 72.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -103.48 25.04 10.14 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.278 -0.889 . . . . 0.0 110.407 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.268 -0.895 . . . . 0.0 110.046 179.935 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p -158.75 144.51 16.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -1.127 . . . . 0.0 110.264 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.8 pt -130.18 158.99 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.32 -0.863 . . . . 0.0 110.203 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 m -84.59 159.93 20.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.391 -0.818 . . . . 0.0 110.136 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -34.99 76.1 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.432 -0.793 . . . . 0.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -27.01 62.14 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.389 -0.819 . . . . 0.0 110.43 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.805 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.9 mt-10 -93.87 -19.32 21.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.493 HD11 ' CE ' ' A' ' 36' ' ' MET . 48.8 tp -52.66 -56.22 17.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.274 -0.891 . . . . 0.0 110.496 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.38 79.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.314 -0.866 . . . . 0.0 110.185 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.1 m -69.31 -40.03 77.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.298 -0.876 . . . . 0.0 110.143 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 31' ' ' GLU . 87.0 t -61.61 -32.49 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.385 -0.822 . . . . 0.0 109.831 179.843 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 32' ' ' LEU . 13.8 mtt -74.12 -35.75 64.15 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.406 -0.809 . . . . 0.0 109.788 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -34.23 77.92 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.475 -0.765 . . . . 0.0 110.1 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -78.45 -34.96 47.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.425 -0.797 . . . . 0.0 110.178 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 39' ' ' LEU . 11.9 mt -67.21 -24.97 65.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 110.254 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.14 36.67 0.85 Allowed Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.1 mt -121.64 172.76 7.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.309 -1.113 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -166.25 67.6 1.05 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.366 -0.834 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.45 138.5 24.57 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.767 1.404 . . . . 0.0 110.447 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -61.12 169.88 1.87 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.294 -0.879 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.48 -28.95 67.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.279 -0.888 . . . . 0.0 110.102 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.57 68.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.839 . . . . 0.0 109.923 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.79 -40.29 96.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.316 -0.865 . . . . 0.0 109.898 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.82 -47.59 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.381 -0.824 . . . . 0.0 109.857 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -44.98 69.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.32 -0.863 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -57.16 -47.45 81.18 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.299 -0.876 . . . . 0.0 109.936 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.63 -51.88 56.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.483 -0.761 . . . . 0.0 109.821 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.7 -24.37 67.75 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.398 -0.814 . . . . 0.0 110.114 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -69.66 -39.51 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.881 . . . . 0.0 109.596 179.512 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -77.21 -33.52 56.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.364 -0.835 . . . . 0.0 109.776 179.6 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.401 HD11 HD13 ' A' ' 71' ' ' LEU . 31.1 mt -87.73 -65.15 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.438 -0.789 . . . . 0.0 109.694 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.439 -0.788 . . . . 0.0 110.124 -179.989 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.164 0.507 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.8 mt -79.94 136.94 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.397 -0.814 . . . . 0.0 110.238 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.87 160.27 14.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.417 -0.802 . . . . 0.0 110.034 179.824 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 69' ' ' LEU . 7.7 t80 -56.67 -45.17 81.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 110.544 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.5 p -57.49 -44.86 85.29 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.292 -0.88 . . . . 0.0 110.106 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.628 ' O ' HD12 ' A' ' 71' ' ' LEU . 50.1 mt-10 -66.61 -39.53 88.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.377 -0.827 . . . . 0.0 109.585 179.643 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 72' ' ' MET . 49.6 t80 -62.26 -58.31 8.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.593 -0.692 . . . . 0.0 110.081 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.785 HD11 ' CE2' ' A' ' 65' ' ' PHE . 82.9 mt -53.11 -30.75 38.28 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.19 -0.944 . . . . 0.0 110.297 -179.622 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.14 -48.71 12.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.296 -0.877 . . . . 0.0 110.07 179.563 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 67' ' ' GLU . 5.8 mt -73.82 -30.6 62.8 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.373 -0.83 . . . . 0.0 109.635 179.577 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.523 ' CG ' ' HA ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -77.14 -36.2 55.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.594 -0.691 . . . . 0.0 109.693 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 72' ' ' MET . 19.7 t . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.604 -0.685 . . . . 0.0 110.021 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.278 0.561 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -66.99 -36.91 83.23 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.346 -0.846 . . . . 0.0 110.001 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.14 -47.15 83.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.417 -0.802 . . . . 0.0 110.076 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.2 -41.25 98.19 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.373 -0.829 . . . . 0.0 110.074 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.88 -35.06 78.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.39 -0.819 . . . . 0.0 110.126 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -65.36 -48.68 72.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.339 -0.851 . . . . 0.0 110.06 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.37 -47.38 85.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.356 -0.84 . . . . 0.0 110.24 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.623 ' HB3' HD13 ' A' ' 137' ' ' ILE . 13.7 m-85 -61.8 -26.79 68.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.339 -0.851 . . . . 0.0 110.186 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -76.81 -41.04 45.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.332 -0.855 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 87' ' ' GLU . 79.4 t -60.96 -41.53 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.379 -0.825 . . . . 0.0 110.141 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.535 ' CZ ' HG22 ' A' ' 108' ' ' VAL . 11.0 m-85 -65.4 -26.47 68.0 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.419 -0.801 . . . . 0.0 110.208 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.99 166.15 21.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.334 -0.853 . . . . 0.0 110.169 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -133.27 30.44 3.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.377 -0.827 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -135.27 -51.17 0.76 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.44 -0.788 . . . . 0.0 110.246 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.04 -30.69 3.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -64.88 -48.13 75.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -1.088 . . . . 0.0 110.241 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.68 66.25 0.34 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 134' ' ' GLU . 4.5 mt -134.17 104.11 6.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.401 -1.058 . . . . 0.0 110.232 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 105' ' ' LEU . 35.8 pt -115.53 160.4 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.853 . . . . 0.0 110.222 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.5 m -79.59 160.2 26.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.848 . . . . 0.0 110.257 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.89 -37.52 63.82 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.334 -0.854 . . . . 0.0 110.467 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.19 58.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.832 . . . . 0.0 110.126 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.746 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.9 mt-10 -60.47 -27.72 67.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.325 -0.859 . . . . 0.0 110.145 179.806 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.847 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -68.48 -45.47 72.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.393 -0.817 . . . . 0.0 110.089 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -66.2 -32.4 73.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.386 -0.821 . . . . 0.0 110.079 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -70.77 -31.39 68.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.41 -0.806 . . . . 0.0 110.143 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 104' ' ' GLU . 69.4 t -77.65 -45.26 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.375 -0.828 . . . . 0.0 110.028 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.447 HD22 ' CD1' ' A' ' 116' ' ' LEU . 25.2 mt -61.79 -32.21 72.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.318 -0.864 . . . . 0.0 110.151 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.9 m -80.1 -31.67 39.2 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.359 -0.838 . . . . 0.0 110.217 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 t -71.07 -38.95 72.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.299 -0.876 . . . . 0.0 110.12 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.43 -27.9 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.384 -0.822 . . . . 0.0 110.147 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.69 29.07 24.91 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.27 165.51 23.52 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.299 -1.118 . . . . 0.0 110.058 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -102.71 49.73 0.83 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.304 -0.872 . . . . 0.0 110.226 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.804 HD11 HD22 ' A' ' 144' ' ' LEU . 16.9 mt -95.62 103.39 15.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.888 . . . . 0.0 110.158 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -59.53 166.89 2.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.429 -0.795 . . . . 0.0 110.255 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -30.97 71.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.386 -0.821 . . . . 0.0 110.246 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.76 88.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.379 -0.825 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -67.19 -52.17 44.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.426 -0.796 . . . . 0.0 110.147 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.483 HG12 ' CD1' ' A' ' 125' ' ' LEU . 58.5 t -62.82 -28.85 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.438 -0.789 . . . . 0.0 110.043 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.54 -42.82 64.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.376 -0.828 . . . . 0.0 110.183 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.9 -28.71 62.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.312 -0.868 . . . . 0.0 110.191 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.584 ' O ' HG23 ' A' ' 128' ' ' VAL . 4.6 mtp -78.25 -42.09 32.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.345 -0.847 . . . . 0.0 110.205 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.57 HD21 HD22 ' A' ' 105' ' ' LEU . 54.5 mt -66.5 -33.51 75.86 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.304 -0.873 . . . . 0.0 110.181 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -67.03 -40.8 87.27 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.425 -0.797 . . . . 0.0 110.226 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -79.88 -32.5 40.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.296 -0.877 . . . . 0.0 110.245 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.648 ' CG1' HG23 ' A' ' 135' ' ' ILE . 67.0 t -82.32 -58.17 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.071 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.3 t -63.22 127.36 30.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.139 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.28 44.7 2.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.315 -0.865 . . . . 0.0 110.327 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.07 80.7 0.21 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.5 m -160.01 -42.73 0.05 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -1.059 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.62 25.2 11.02 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.4 ' HB3' HD22 ' A' ' 99' ' ' LEU . 3.9 mt-10 -160.2 137.62 9.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.433 -1.039 . . . . 0.0 110.129 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.648 HG23 ' CG1' ' A' ' 128' ' ' VAL . 83.0 mt -130.1 134.54 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.282 -0.886 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -79.97 129.66 34.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 110.217 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.623 HD13 ' HB3' ' A' ' 89' ' ' PHE . 6.3 pt -69.44 -12.22 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.412 -0.805 . . . . 0.0 110.699 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.43 -66.95 0.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.185 -0.947 . . . . 0.0 110.251 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -55.71 -43.18 76.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.332 -0.855 . . . . 0.0 110.669 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.847 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.79 -45.32 94.86 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.285 -0.885 . . . . 0.0 110.09 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.45 72.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.377 -0.827 . . . . 0.0 110.128 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.93 -34.24 57.67 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.033 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.23 -35.2 79.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.371 -0.83 . . . . 0.0 110.107 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.804 HD22 HD11 ' A' ' 116' ' ' LEU . 89.2 mt -79.93 -32.53 40.09 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.322 -0.861 . . . . 0.0 110.187 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.399 -0.813 . . . . 0.0 110.177 179.945 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.191 0.52 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -60.39 -36.44 78.09 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.321 -0.862 . . . . 0.0 110.195 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.21 -52.38 63.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.3 -0.875 . . . . 0.0 110.052 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -63.29 -43.49 97.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.306 -0.872 . . . . 0.0 110.09 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.1 mt -66.55 -34.34 69.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -0.901 . . . . 0.0 109.873 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.67 84.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.362 -0.836 . . . . 0.0 109.976 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.38 -49.58 59.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.449 -0.782 . . . . 0.0 109.983 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 23.8 m-85 -62.16 -35.3 78.37 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.383 -0.823 . . . . 0.0 109.876 179.76 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HE2' ' CZ ' ' A' ' 65' ' ' PHE . 11.7 ttmm -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.433 -0.792 . . . . 0.0 110.181 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.37 -51.27 68.26 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.323 -0.86 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.26 82.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.362 -0.836 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.844 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.6 t80 -68.59 -46.95 68.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.315 -0.865 . . . . 0.0 110.232 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -27.54 69.39 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.307 -0.871 . . . . 0.0 110.276 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.77 -35.52 80.87 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.437 -0.789 . . . . 0.0 110.21 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.73 27.94 8.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.339 -0.851 . . . . 0.0 110.328 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 110.211 179.967 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -159.2 136.07 9.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -1.053 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.844 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -124.55 159.94 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.415 -0.803 . . . . 0.0 110.16 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.71 160.01 25.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.412 -0.805 . . . . 0.0 110.221 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -28.01 68.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.363 -0.836 . . . . 0.0 110.188 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -36.5 80.81 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.381 -0.824 . . . . 0.0 110.136 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.9 mt-10 -83.86 -15.7 47.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.848 . . . . 0.0 110.441 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 tp -54.02 -51.04 65.25 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.263 -0.898 . . . . 0.0 110.482 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.4 91.1 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.301 -0.874 . . . . 0.0 110.135 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.5 m -68.24 -38.45 81.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.339 -0.851 . . . . 0.0 110.181 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.5 t -62.74 -35.08 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.35 -0.844 . . . . 0.0 109.904 179.847 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.7 mtt -72.69 -34.42 67.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.285 -0.884 . . . . 0.0 110.008 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -67.5 -34.88 78.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.404 -0.81 . . . . 0.0 110.167 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -80.12 -33.44 38.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.366 -0.833 . . . . 0.0 110.249 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.579 HD13 ' CE ' ' A' ' 72' ' ' MET . 13.2 mt -63.25 -22.07 66.64 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.368 -0.832 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.78 29.66 1.99 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.7 mt -124.28 178.89 5.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.364 -1.08 . . . . 0.0 110.193 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.4 p -167.38 67.81 0.88 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.389 -0.819 . . . . 0.0 110.174 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.1 139.38 29.58 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.72 1.379 . . . . 0.0 110.377 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.5 167.34 2.64 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.335 -0.853 . . . . 0.0 110.056 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -58.87 -27.58 65.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.293 -0.879 . . . . 0.0 110.23 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.65 80.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.365 -0.834 . . . . 0.0 110.031 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -66.93 -39.89 87.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 0.0 110.089 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.74 -37.01 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.327 -0.858 . . . . 0.0 109.871 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -66.97 -35.98 81.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.338 -0.851 . . . . 0.0 110.153 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.93 -44.27 90.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.385 -0.822 . . . . 0.0 110.077 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.608 HD23 HD22 ' A' ' 71' ' ' LEU . 5.6 mt -69.41 -37.15 77.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.34 -0.85 . . . . 0.0 110.089 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.7 mtt -68.87 -31.01 69.65 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.392 -0.818 . . . . 0.0 110.093 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -70.24 -44.54 68.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 110.14 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.67 -27.96 67.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.373 -0.829 . . . . 0.0 110.088 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.432 HD13 ' CD1' ' A' ' 63' ' ' ILE . 2.7 mt -88.02 -53.41 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.837 . . . . 0.0 110.081 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.12 -0.988 . . . . 0.0 110.639 -179.604 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.252 0.549 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.432 ' CD1' HD13 ' A' ' 55' ' ' ILE . 77.4 mt -79.77 126.01 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.831 . . . . 0.0 110.333 -179.587 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.5 160.17 16.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.483 -0.76 . . . . 0.0 109.946 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.809 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.5 t80 -55.12 -25.87 34.64 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.31 -0.868 . . . . 0.0 110.433 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 t -70.92 -57.74 4.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.911 . . . . 0.0 110.043 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.04 -29.75 71.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.462 -0.774 . . . . 0.0 110.137 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.45 -48.63 64.03 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.852 . . . . 0.0 110.073 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.809 HD11 ' CE2' ' A' ' 65' ' ' PHE . 38.7 mt -59.66 -34.32 72.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.242 -0.911 . . . . 0.0 109.952 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.22 -51.2 26.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -0.834 . . . . 0.0 110.087 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.608 HD22 HD23 ' A' ' 51' ' ' LEU . 59.0 mt -62.45 -29.45 70.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.383 -0.823 . . . . 0.0 110.069 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.579 ' CE ' HD13 ' A' ' 39' ' ' LEU . 81.9 mmm -74.67 -36.49 62.81 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.354 -0.842 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 0.0 110.198 179.936 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.291 0.567 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -60.82 -29.56 69.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.315 -0.866 . . . . 0.0 110.043 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.65 -39.68 80.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.415 -0.803 . . . . 0.0 109.957 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mt -63.59 -47.86 79.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.393 -0.817 . . . . 0.0 110.073 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.62 -29.31 70.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.456 -0.777 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.1 -46.75 64.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.364 -0.835 . . . . 0.0 110.07 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.9 95.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.311 -0.868 . . . . 0.0 110.062 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.74 ' HB3' HD13 ' A' ' 137' ' ' ILE . 6.6 m-85 -62.53 -30.9 71.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.368 -0.833 . . . . 0.0 110.085 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -67.18 -43.73 81.43 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.404 -0.81 . . . . 0.0 110.129 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.72 -38.24 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -0.839 . . . . 0.0 109.969 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -76.44 -21.12 56.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.424 -0.798 . . . . 0.0 110.347 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -58.78 171.21 0.68 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.274 -0.891 . . . . 0.0 110.308 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -69.7 0.54 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.382 -0.824 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -111.23 -62.83 1.49 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.302 -0.874 . . . . 0.0 110.188 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.18 40.63 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.82 -55.89 2.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -1.1 . . . . 0.0 110.141 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.1 49.16 0.19 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 81.7 mt -132.45 109.72 10.01 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -1.069 . . . . 0.0 110.175 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 pt -131.4 159.56 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.389 -0.819 . . . . 0.0 110.254 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 m -79.86 160.24 26.13 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.385 -0.822 . . . . 0.0 110.267 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.08 -27.74 34.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.388 -0.82 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.46 -52.75 42.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.374 -0.829 . . . . 0.0 110.045 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 108' ' ' VAL . 33.6 mt-10 -62.8 -38.93 92.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.392 -0.817 . . . . 0.0 110.019 179.881 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.761 HD21 ' CE1' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -65.77 -36.43 83.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.42 -0.8 . . . . 0.0 110.164 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -68.77 -35.39 77.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.407 -0.808 . . . . 0.0 110.161 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -69.98 -31.9 69.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.358 -0.839 . . . . 0.0 110.173 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 104' ' ' GLU . 68.6 t -74.38 -38.54 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.288 -0.882 . . . . 0.0 110.085 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.3 -28.77 65.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.391 -0.818 . . . . 0.0 110.145 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.6 m -79.7 -43.23 23.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.351 -0.843 . . . . 0.0 110.17 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.0 m -61.55 -44.01 97.82 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.369 -0.832 . . . . 0.0 110.136 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.1 -27.21 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.303 -0.873 . . . . 0.0 110.071 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.19 31.5 52.0 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.58 175.83 0.43 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.339 -1.095 . . . . 0.0 110.243 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -100.94 60.38 0.94 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.354 -0.841 . . . . 0.0 110.217 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.646 HD11 ' CD2' ' A' ' 144' ' ' LEU . 50.7 mt -127.08 116.48 20.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.282 -0.886 . . . . 0.0 110.251 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.0 p -77.9 -179.21 5.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.407 -0.808 . . . . 0.0 110.123 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.97 -38.46 88.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.351 -0.843 . . . . 0.0 110.151 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.93 87.48 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.41 -0.806 . . . . 0.0 110.091 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -66.59 -51.37 57.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.336 -0.852 . . . . 0.0 110.055 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.415 HG12 HD12 ' A' ' 125' ' ' LEU . 87.9 t -62.26 -27.29 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 109.98 179.835 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -69.25 -44.91 70.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.312 -0.868 . . . . 0.0 110.005 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.47 -35.17 68.15 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.414 -0.804 . . . . 0.0 110.109 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.62 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.2 ttp -72.77 -28.79 62.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.396 -0.815 . . . . 0.0 110.046 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.415 HD12 HG12 ' A' ' 121' ' ' VAL . 9.7 mt -73.3 -43.36 61.08 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.366 -0.834 . . . . 0.0 110.203 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -66.82 -33.12 74.92 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 110.244 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.02 -29.74 39.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.364 -0.835 . . . . 0.0 110.426 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.687 HG13 ' NE2' ' A' ' 139' ' ' GLN . 80.7 t -93.72 -52.53 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.335 -0.853 . . . . 0.0 110.293 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.5 t -61.02 112.26 2.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.394 -0.816 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.84 -38.76 2.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.68 -102.16 0.01 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.1 m -142.14 -65.52 0.41 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.332 -1.099 . . . . 0.0 110.236 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -138.59 40.94 1.41 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -144.36 117.3 8.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.414 -1.051 . . . . 0.0 110.107 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 70.8 mt -116.37 147.84 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.297 -0.877 . . . . 0.0 110.171 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -91.11 137.84 32.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 0.0 110.069 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.74 HD13 ' HB3' ' A' ' 89' ' ' PHE . 2.0 pt -74.4 -18.46 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.385 -0.822 . . . . 0.0 110.45 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -61.1 -65.0 0.76 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.294 -0.879 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.687 ' NE2' HG13 ' A' ' 128' ' ' VAL . 6.3 pt20 -54.89 -42.81 72.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.347 -0.846 . . . . 0.0 110.495 -179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.761 ' CE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.16 -43.75 98.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.358 -0.839 . . . . 0.0 110.122 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.95 -32.37 72.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.383 -0.823 . . . . 0.0 110.123 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.5 -43.42 76.88 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.432 -0.792 . . . . 0.0 110.086 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.62 HD13 ' CG ' ' A' ' 124' ' ' MET . 5.2 mt -62.32 -33.98 75.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.297 -0.877 . . . . 0.0 110.096 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.646 ' CD2' HD11 ' A' ' 116' ' ' LEU . 88.4 mt -79.84 -37.93 33.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.416 -0.803 . . . . 0.0 110.105 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.315 -0.866 . . . . 0.0 110.172 179.993 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.108 0.48 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.83 -36.22 82.5 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.323 -0.861 . . . . 0.0 110.112 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -69.4 -37.97 77.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.285 -0.885 . . . . 0.0 110.016 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -70.61 -44.41 67.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.425 -0.797 . . . . 0.0 110.018 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.4 mt -66.31 -32.16 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.4 -0.812 . . . . 0.0 109.848 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.69 71.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.415 -0.803 . . . . 0.0 109.98 179.7 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -50.14 63.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.409 -0.807 . . . . 0.0 109.967 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.425 ' CD1' ' HE2' ' A' ' 72' ' ' MET . 25.3 m-85 -60.7 -35.15 75.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.33 -0.856 . . . . 0.0 110.05 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -63.52 -39.25 93.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.373 -0.829 . . . . 0.0 109.968 179.799 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.22 -53.57 50.96 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.413 -0.804 . . . . 0.0 110.065 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.7 88.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.0 109.983 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.592 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.7 t80 -67.39 -42.32 83.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.379 -0.826 . . . . 0.0 109.942 179.754 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.51 71.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.419 -0.801 . . . . 0.0 110.153 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.11 -30.66 70.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.841 . . . . 0.0 110.06 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.44 ' O ' HG22 ' A' ' 27' ' ' ILE . 92.4 m-85 -109.45 21.6 16.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.389 -0.819 . . . . 0.0 110.285 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.353 -0.842 . . . . 0.0 110.141 179.961 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 p -143.88 118.64 9.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.369 -1.077 . . . . 0.0 110.185 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.592 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.3 pt -117.06 159.19 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.387 -0.821 . . . . 0.0 110.338 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 m -84.01 160.19 21.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.369 -0.832 . . . . 0.0 110.343 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -59.78 -41.18 90.54 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.35 -0.844 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.46 -27.14 46.39 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.282 -0.886 . . . . 0.0 110.373 -179.741 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.852 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.0 mt-10 -91.01 -16.24 28.27 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.32 -0.863 . . . . 0.0 110.434 179.786 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.01 -55.89 28.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.206 -0.934 . . . . 0.0 110.359 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.66 -31.53 69.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.425 -0.797 . . . . 0.0 110.099 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.7 m -72.45 -38.0 68.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.461 -0.775 . . . . 0.0 109.995 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 31' ' ' GLU . 80.8 t -62.51 -38.19 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.4 -0.812 . . . . 0.0 109.832 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.0 mtt -71.89 -34.44 69.16 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.4 -0.813 . . . . 0.0 109.869 179.724 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.04 73.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.412 -0.805 . . . . 0.0 110.151 179.874 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.73 -31.43 41.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 110.112 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.07 -26.39 63.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.323 -0.86 . . . . 0.0 110.257 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.06 39.2 0.53 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 mt -123.78 174.44 7.5 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.402 -1.058 . . . . 0.0 110.085 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.9 62.62 0.68 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.303 -0.873 . . . . 0.0 110.178 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.05 137.92 27.29 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 O-C-N 123.705 1.371 . . . . 0.0 110.4 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.61 169.82 1.23 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.364 -0.835 . . . . 0.0 110.073 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -28.28 66.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.325 -0.859 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.39 82.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.367 -0.833 . . . . 0.0 110.042 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.94 -42.51 94.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.324 -0.86 . . . . 0.0 109.932 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.85 -40.69 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.426 -0.797 . . . . 0.0 109.87 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 1.6 t-20 -61.73 -37.16 83.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -62.73 -50.18 72.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.085 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD23 HD22 ' A' ' 71' ' ' LEU . 10.1 mt -62.47 -43.88 97.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.3 -0.875 . . . . 0.0 109.99 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 mtt -67.54 -39.62 85.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.421 -0.799 . . . . 0.0 110.084 179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 49' ' ' ASN . 18.4 m-80 -63.69 -26.72 68.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 109.984 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.66 -28.19 30.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.248 -0.908 . . . . 0.0 109.791 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.481 HD13 HD11 ' A' ' 63' ' ' ILE . 4.4 mt -84.29 -50.98 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 110.128 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.295 -0.878 . . . . 0.0 110.637 -179.565 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.183 0.516 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.481 HD11 HD13 ' A' ' 55' ' ' ILE . 83.3 mt -84.1 120.51 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.402 -0.811 . . . . 0.0 110.137 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -86.99 160.11 18.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.314 -0.866 . . . . 0.0 110.063 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.67 ' CE2' HD11 ' A' ' 69' ' ' LEU . 17.0 t80 -56.27 -27.19 54.39 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.287 -0.883 . . . . 0.0 110.327 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.6 p -69.1 -55.78 9.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.302 -0.874 . . . . 0.0 110.027 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.1 -30.42 71.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.378 -0.826 . . . . 0.0 110.006 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -66.45 -48.43 69.96 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.385 -0.822 . . . . 0.0 110.079 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.67 HD11 ' CE2' ' A' ' 65' ' ' PHE . 35.8 mt -59.24 -42.76 91.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.396 -0.815 . . . . 0.0 110.153 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.0 96.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.372 -0.83 . . . . 0.0 110.009 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.549 HD22 HD23 ' A' ' 51' ' ' LEU . 55.7 mt -62.1 -41.34 98.11 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.418 -0.801 . . . . 0.0 109.991 179.809 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.425 ' HE2' ' CD1' ' A' ' 12' ' ' PHE . 96.3 mmm -63.76 -34.87 78.85 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.43 -0.794 . . . . 0.0 109.889 179.872 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.45 -0.781 . . . . 0.0 109.98 179.764 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.202 0.525 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -53.03 -41.26 64.57 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.353 -0.842 . . . . 0.0 110.475 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.6 -42.21 98.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.121 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.07 -46.9 88.77 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.417 -0.802 . . . . 0.0 110.066 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.74 -28.78 69.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.206 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 91' ' ' VAL . 17.4 tp10 -67.33 -46.36 73.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.37 -0.831 . . . . 0.0 110.117 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.21 83.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.381 -0.825 . . . . 0.0 110.11 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.557 ' HB3' HD13 ' A' ' 137' ' ' ILE . 14.5 m-85 -60.81 -34.17 74.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.308 -0.87 . . . . 0.0 110.144 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -68.39 -40.1 81.49 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.304 -0.872 . . . . 0.0 110.087 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 87' ' ' GLU . 65.7 t -63.74 -34.35 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.326 -0.859 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CD1' HG22 ' A' ' 108' ' ' VAL . 9.4 m-85 -73.79 -34.52 64.67 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.332 -0.855 . . . . 0.0 110.217 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.43 97.3 9.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.866 . . . . 0.0 110.157 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.83 -27.31 23.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 110.359 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -60.91 -28.18 68.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.362 -0.836 . . . . 0.0 110.283 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.52 33.51 8.52 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.22 -64.04 1.37 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.366 -1.079 . . . . 0.0 110.145 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.4 -24.31 5.0 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.91 104.47 10.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -1.137 . . . . 0.0 110.329 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.3 pt -111.98 160.45 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.37 -0.831 . . . . 0.0 110.135 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -79.49 160.16 26.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.36 -0.838 . . . . 0.0 110.28 -179.814 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.96 -32.94 48.83 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.366 -0.834 . . . . 0.0 110.462 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.01 -56.73 17.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.83 . . . . 0.0 110.173 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.801 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.4 mt-10 -61.46 -30.9 70.89 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.402 -0.811 . . . . 0.0 109.961 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.61 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -70.0 -42.47 72.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 109.965 179.868 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -62.53 -42.34 99.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.354 -0.841 . . . . 0.0 109.946 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.11 -40.25 97.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.883 . . . . 0.0 110.035 179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.5 t -62.83 -45.31 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.402 -0.811 . . . . 0.0 109.957 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -30.76 70.53 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.33 -0.857 . . . . 0.0 110.065 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.3 m -80.0 -42.47 23.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.434 -0.791 . . . . 0.0 110.177 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.6 m -62.46 -42.37 99.43 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.438 -0.789 . . . . 0.0 110.15 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.538 HD11 HG12 ' A' ' 108' ' ' VAL . 64.9 mt -59.65 -21.84 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.844 . . . . 0.0 110.311 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.07 25.43 44.71 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.05 152.36 39.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -1.117 . . . . 0.0 110.09 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.55 25.74 3.81 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.316 -0.865 . . . . 0.0 110.043 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 3.3 mm? -68.01 112.93 5.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.374 -0.829 . . . . 0.0 110.252 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.3 p -69.66 164.95 22.26 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.365 -0.834 . . . . 0.0 110.162 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.4 -28.77 68.5 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.312 -0.867 . . . . 0.0 110.136 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.26 74.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.291 -0.881 . . . . 0.0 110.074 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.23 -52.03 51.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.36 -0.837 . . . . 0.0 110.034 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.607 HG12 HD12 ' A' ' 125' ' ' LEU . 97.6 t -61.95 -27.33 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.348 -0.845 . . . . 0.0 109.855 179.709 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.25 -48.71 49.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.467 -0.77 . . . . 0.0 110.096 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.0 -29.06 64.91 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 0.0 110.077 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 128' ' ' VAL . 3.3 ttp -80.01 -28.86 39.35 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.46 -0.775 . . . . 0.0 110.081 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.607 HD12 HG12 ' A' ' 121' ' ' VAL . 11.5 mt -74.11 -36.66 64.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.455 -0.778 . . . . 0.0 110.168 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -34.25 77.72 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.36 -0.838 . . . . 0.0 110.223 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.98 -29.81 39.62 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.385 -0.822 . . . . 0.0 110.361 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 124' ' ' MET . 64.9 t -89.88 -36.39 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.329 -0.857 . . . . 0.0 110.256 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.7 p -60.94 102.23 0.19 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.279 -0.888 . . . . 0.0 110.239 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -167.45 33.43 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.376 -0.828 . . . . 0.0 110.238 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -127.54 -86.47 0.54 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 m -142.22 -61.56 0.45 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.31 -1.112 . . . . 0.0 110.223 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -157.26 -45.06 0.02 OUTLIER Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -80.62 153.84 27.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.434 -1.039 . . . . 0.0 110.205 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.435 HG23 HG12 ' A' ' 128' ' ' VAL . 80.7 mt -119.77 146.82 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.371 -0.83 . . . . 0.0 110.086 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -82.34 136.24 35.04 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.399 -0.813 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.557 HD13 ' HB3' ' A' ' 89' ' ' PHE . 16.8 pt -73.85 -21.14 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.807 . . . . 0.0 110.366 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -54.64 43.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.287 -0.883 . . . . 0.0 110.193 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -62.26 -41.76 98.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.417 -0.802 . . . . 0.0 110.148 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.61 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -66.86 -46.03 76.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.018 179.886 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.72 73.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.36 -0.838 . . . . 0.0 110.168 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.72 -27.62 50.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.356 -0.84 . . . . 0.0 110.154 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.77 -30.88 63.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.395 -0.816 . . . . 0.0 110.208 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.491 HD21 ' CE ' ' A' ' 124' ' ' MET . 87.6 mt -78.58 -27.04 45.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.29 -0.881 . . . . 0.0 110.204 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.421 -0.799 . . . . 0.0 110.171 179.966 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.194 0.521 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.44 -37.04 79.68 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 110.35 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -65.26 -47.49 76.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.332 -0.855 . . . . 0.0 110.04 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 4.5 mt-30 -67.33 -43.32 81.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -0.805 . . . . 0.0 109.941 179.802 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.03 -31.48 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.392 -0.817 . . . . 0.0 109.939 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.62 -41.82 75.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 0.0 109.958 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -59.36 -52.28 66.33 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.332 -0.855 . . . . 0.0 109.766 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.438 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 22.9 m-85 -60.13 -30.13 69.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.423 -0.798 . . . . 0.0 109.415 179.374 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -60.84 -46.33 90.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.566 -0.709 . . . . 0.0 109.926 179.579 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.07 -44.25 96.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.454 -0.779 . . . . 0.0 110.153 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -70.86 -35.73 72.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.359 -0.838 . . . . 0.0 110.197 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.543 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.5 t80 -71.03 -48.47 52.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.393 -0.817 . . . . 0.0 110.098 179.871 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.7 67.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.386 -0.821 . . . . 0.0 110.178 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 15' ' ' ALA . 7.5 mt -64.17 -37.01 85.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.34 -0.85 . . . . 0.0 110.225 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -105.14 26.48 9.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.357 -0.84 . . . . 0.0 110.243 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 179.94 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.443 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -146.49 129.35 16.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -1.063 . . . . 0.0 110.316 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.543 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -121.32 155.35 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.367 -0.833 . . . . 0.0 110.175 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.42 158.72 24.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -29.35 70.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.313 -0.867 . . . . 0.0 110.15 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 t -59.79 -28.88 67.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.437 -0.789 . . . . 0.0 110.183 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 35' ' ' VAL . 37.3 mt-10 -97.47 -12.62 22.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.367 -0.833 . . . . 0.0 110.375 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 HD13 ' A' ' 55' ' ' ILE . 45.5 tp -57.03 -52.74 64.07 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.237 -0.914 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.4 -36.28 71.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.354 -0.841 . . . . 0.0 110.208 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.3 m -69.86 -37.23 76.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.403 -0.811 . . . . 0.0 109.892 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.7 t -61.58 -36.79 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.391 -0.818 . . . . 0.0 109.942 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 mtt -71.38 -38.21 71.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.016 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -66.19 -34.81 78.88 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.405 -0.81 . . . . 0.0 110.211 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.01 -33.59 39.13 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.147 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.424 HD13 ' CE ' ' A' ' 72' ' ' MET . 5.7 mt -64.45 -22.69 67.04 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.319 -0.863 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.48 31.62 1.63 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 mt -122.57 -177.74 3.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -1.093 . . . . 0.0 110.185 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.4 t -168.76 70.05 0.75 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.842 . . . . 0.0 110.17 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.0 137.67 26.98 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.765 1.402 . . . . 0.0 110.378 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -62.17 171.7 1.71 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.159 179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.25 -28.3 67.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.292 -0.88 . . . . 0.0 110.116 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.42 73.21 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 110.09 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.45 -31.08 70.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.39 -0.819 . . . . 0.0 109.993 179.83 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 44' ' ' SER . 62.9 t -74.31 -44.47 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.829 . . . . 0.0 109.898 179.871 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.67 -35.21 79.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.361 -0.837 . . . . 0.0 109.945 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.01 -47.5 74.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.391 -0.818 . . . . 0.0 110.0 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.673 ' O ' HD12 ' A' ' 55' ' ' ILE . 91.0 mt -66.82 -37.49 84.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.838 . . . . 0.0 110.025 179.773 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.4 mtt -70.75 -31.87 68.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.875 . . . . 0.0 110.043 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -67.59 -38.69 84.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.378 -0.826 . . . . 0.0 110.079 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -76.55 -29.03 56.51 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.455 -0.778 . . . . 0.0 110.071 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 51' ' ' LEU . 9.3 mt -90.34 -62.32 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.361 -0.837 . . . . 0.0 109.992 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.332 -0.855 . . . . 0.0 110.399 -179.883 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.225 0.536 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.549 HD11 HG21 ' A' ' 55' ' ' ILE . 74.0 mt -79.92 132.59 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.298 -0.876 . . . . 0.0 110.108 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -90.89 160.16 15.84 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.344 -0.848 . . . . 0.0 110.071 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.777 ' CE2' HD11 ' A' ' 69' ' ' LEU . 27.5 t80 -58.35 -33.32 69.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.212 -0.93 . . . . 0.0 110.203 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 p -65.65 -55.22 18.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.411 -0.806 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -62.62 -36.12 81.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.348 -0.845 . . . . 0.0 110.09 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.42 ' CE2' ' HG3' ' A' ' 72' ' ' MET . 90.5 t80 -63.97 -45.26 89.88 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.386 -0.821 . . . . 0.0 110.027 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.777 HD11 ' CE2' ' A' ' 65' ' ' PHE . 38.3 mt -58.49 -43.02 88.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.349 -0.844 . . . . 0.0 110.137 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.47 -49.08 75.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.3 -0.875 . . . . 0.0 110.048 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.555 HD13 HD11 ' A' ' 55' ' ' ILE . 17.4 mt -61.48 -39.51 91.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.385 -0.822 . . . . 0.0 110.081 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.438 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 86.4 mmm -62.66 -41.43 99.06 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.317 -0.865 . . . . 0.0 110.082 179.891 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.192 0.52 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 86' ' ' LEU . 12.9 mp0 -60.85 -37.17 81.19 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.327 -0.858 . . . . 0.0 110.099 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.78 -33.4 75.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.375 -0.828 . . . . 0.0 110.056 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.64 -43.26 80.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.381 -0.824 . . . . 0.0 110.126 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 83' ' ' GLN . 8.9 mt -62.9 -38.03 89.32 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.356 -0.84 . . . . 0.0 110.087 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.643 ' O ' HG23 ' A' ' 91' ' ' VAL . 8.7 mm-40 -65.22 -45.74 83.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.42 -0.8 . . . . 0.0 110.157 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.42 -46.23 84.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.394 -0.817 . . . . 0.0 110.113 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.684 ' HB3' HD13 ' A' ' 137' ' ' ILE . 5.4 m-85 -60.95 -31.83 71.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.376 -0.827 . . . . 0.0 110.057 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -71.48 -39.13 71.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 110.066 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 87' ' ' GLU . 60.5 t -61.92 -40.25 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.792 . . . . 0.0 109.957 179.901 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -70.14 -27.23 64.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.373 -0.83 . . . . 0.0 110.241 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -72.5 -156.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.33 -0.856 . . . . 0.0 110.23 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -110.84 -73.51 0.68 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 110.227 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -113.15 -50.65 2.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.86 . . . . 0.0 110.215 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.88 42.41 0.02 OUTLIER Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 32.1 p-10 -94.42 -23.99 17.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.364 -1.08 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.61 51.47 6.5 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 99' ' ' LEU . 16.5 mt -146.52 93.73 2.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.384 -1.068 . . . . 0.0 110.195 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.666 HD11 HD12 ' A' ' 105' ' ' LEU . 36.0 pt -114.32 160.44 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.383 -0.823 . . . . 0.0 110.229 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.0 m -79.7 160.24 26.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.391 -0.818 . . . . 0.0 110.239 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.36 63.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.325 -0.86 . . . . 0.0 110.487 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.68 -58.5 7.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.315 -0.866 . . . . 0.0 110.089 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.5 mm-40 -59.47 -28.95 67.47 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.398 -0.814 . . . . 0.0 110.05 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.666 HD12 HD11 ' A' ' 100' ' ' ILE . 2.3 tp -68.7 -43.21 76.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.435 -0.791 . . . . 0.0 110.138 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -65.47 -39.68 92.28 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.367 -0.833 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -64.35 -38.97 92.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 110.241 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 104' ' ' GLU . 92.3 t -62.55 -44.14 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.381 -0.825 . . . . 0.0 110.101 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.488 HD22 HG22 ' A' ' 121' ' ' VAL . 1.1 mp -61.56 -36.24 80.07 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.422 -0.798 . . . . 0.0 110.169 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.4 m -79.97 -37.46 34.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.351 -0.843 . . . . 0.0 110.186 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -63.18 -42.61 99.4 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.383 -0.823 . . . . 0.0 110.176 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 70.2 mt -61.91 -29.44 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.444 -0.785 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.16 28.3 20.8 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.22 147.0 40.71 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.428 -1.043 . . . . 0.0 110.091 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -82.07 58.47 3.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.357 -0.839 . . . . 0.0 110.237 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 116' ' ' LEU . 65.5 mt -123.31 104.76 9.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.343 -0.848 . . . . 0.0 110.191 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.8 p -67.47 -176.56 0.61 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.323 -0.861 . . . . 0.0 110.224 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -67.65 -27.57 66.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.382 -0.824 . . . . 0.0 110.212 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.12 83.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.323 -0.861 . . . . 0.0 110.131 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.67 -47.75 82.31 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 110.142 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.609 HG12 HD12 ' A' ' 125' ' ' LEU . 59.4 t -61.02 -32.36 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.303 -0.873 . . . . 0.0 109.983 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.18 -47.38 80.06 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.379 -0.826 . . . . 0.0 110.015 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -31.65 72.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.067 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.504 ' SD ' HD13 ' A' ' 143' ' ' LEU . 14.9 ttp -80.09 -29.55 39.09 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.425 -0.797 . . . . 0.0 110.123 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.609 HD12 HG12 ' A' ' 121' ' ' VAL . 1.1 mt -67.42 -40.15 85.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.848 . . . . 0.0 110.136 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -68.08 -30.78 70.05 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.383 -0.823 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -26.48 39.44 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.329 -0.857 . . . . 0.0 110.389 -179.843 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.681 HG12 HG23 ' A' ' 135' ' ' ILE . 65.5 t -96.9 -37.56 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 110.209 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.8 p -60.91 119.04 7.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.324 -0.86 . . . . 0.0 110.27 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -167.28 33.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.36 -0.837 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.49 -77.05 0.14 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -158.35 -63.62 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -1.096 . . . . 0.0 110.134 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.07 29.98 0.59 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -143.59 156.07 44.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -1.068 . . . . 0.0 110.225 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.681 HG23 HG12 ' A' ' 128' ' ' VAL . 82.5 mt -133.64 148.89 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 110.164 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -92.6 140.46 29.52 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.398 -0.813 . . . . 0.0 110.208 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.684 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.0 pt -72.21 -16.32 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.375 -0.828 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -56.68 19.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.225 -0.922 . . . . 0.0 110.382 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -63.46 -44.89 93.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.346 -0.846 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.632 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.11 -46.9 82.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.363 -0.836 . . . . 0.0 110.23 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.24 -28.53 69.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.281 -0.887 . . . . 0.0 110.274 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.25 -32.29 58.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.385 -0.822 . . . . 0.0 110.249 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.504 HD13 ' SD ' ' A' ' 124' ' ' MET . 1.3 mt -74.71 -38.3 62.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 0.0 110.243 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.5 mt -69.45 -27.25 65.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.315 -0.865 . . . . 0.0 110.21 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.327 -0.858 . . . . 0.0 110.155 179.987 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.145 0.498 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 8.6 mt-10 -63.42 -33.55 75.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.235 -0.916 . . . . 0.0 110.142 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -66.9 -47.67 71.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.334 -0.854 . . . . 0.0 109.967 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -67.86 -43.96 78.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.808 . . . . 0.0 109.89 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -67.75 -30.19 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.348 -0.845 . . . . 0.0 109.803 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -68.79 -34.96 76.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.358 -0.838 . . . . 0.0 109.788 179.583 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -67.74 -49.46 62.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.47 -0.769 . . . . 0.0 109.895 179.675 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CD1' ' HE2' ' A' ' 72' ' ' MET . 25.6 m-85 -60.5 -39.68 88.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.303 -0.873 . . . . 0.0 109.898 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 15.3 ttmt -58.91 -41.44 87.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.404 -0.81 . . . . 0.0 110.245 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.16 -57.05 14.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.459 -0.776 . . . . 0.0 110.099 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.24 -23.62 67.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.776 ' CE1' HG23 ' A' ' 27' ' ' ILE . 8.9 t80 -80.17 -38.86 30.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.147 -0.97 . . . . 0.0 110.088 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -24.8 63.47 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.384 -0.822 . . . . 0.0 110.286 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -72.31 -26.22 61.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -117.16 24.04 11.44 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.295 -0.878 . . . . 0.0 110.392 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.52 ' HA ' HG22 ' A' ' 27' ' ' ILE . 52.8 p-10 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.225 -0.922 . . . . 0.0 110.339 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.3 p -126.4 156.13 41.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.391 -1.064 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.776 HG23 ' CE1' ' A' ' 16' ' ' PHE . 42.4 pt -118.88 160.12 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.34 -0.85 . . . . 0.0 110.273 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.58 158.04 23.24 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.332 -0.855 . . . . 0.0 110.075 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -28.91 70.01 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.4 -0.813 . . . . 0.0 110.218 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -62.31 -36.39 82.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.348 -0.845 . . . . 0.0 110.236 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.781 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.9 mt-10 -85.21 -10.98 55.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.361 -0.837 . . . . 0.0 110.459 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.2 tp -57.85 -49.53 76.36 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.19 -0.944 . . . . 0.0 110.477 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.13 88.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.268 -0.895 . . . . 0.0 110.331 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.3 m -68.0 -41.25 82.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.306 -0.871 . . . . 0.0 110.124 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.2 t -61.83 -32.63 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.419 -0.8 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.8 mtt -74.17 -33.81 63.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.86 . . . . 0.0 109.967 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -66.78 -34.52 78.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.429 -0.794 . . . . 0.0 110.174 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -29.28 38.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.376 -0.828 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 39' ' ' LEU . 13.3 mt -73.37 -23.88 60.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.323 -0.861 . . . . 0.0 110.244 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.15 35.07 0.9 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.1 mt -124.28 164.56 19.32 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.304 -1.115 . . . . 0.0 110.062 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 t -160.13 66.98 2.69 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 0.0 110.2 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.75 137.3 24.55 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.673 1.354 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -62.07 175.12 0.74 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.394 -0.817 . . . . 0.0 110.084 179.863 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.82 -28.3 68.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 110.19 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.51 -42.0 71.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.309 -0.869 . . . . 0.0 110.053 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.13 -40.94 95.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.408 -0.808 . . . . 0.0 110.112 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 44' ' ' SER . 56.6 t -63.1 -40.71 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.432 -0.793 . . . . 0.0 109.942 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -41.73 97.59 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.367 -0.833 . . . . 0.0 110.068 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.34 -48.13 82.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 110.093 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.402 HD23 HD22 ' A' ' 71' ' ' LEU . 8.2 mt -62.4 -44.27 96.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.437 -0.789 . . . . 0.0 110.112 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 mtt -66.84 -28.81 68.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.342 -0.849 . . . . 0.0 109.921 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -67.15 -38.87 86.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.411 -0.806 . . . . 0.0 110.006 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -74.15 -30.91 62.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.347 -0.846 . . . . 0.0 109.996 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.43 HD13 HD11 ' A' ' 63' ' ' ILE . 20.6 mt -85.53 -60.74 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.428 -0.795 . . . . 0.0 109.92 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.391 -0.818 . . . . 0.0 110.188 -179.929 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.158 0.504 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.43 HD11 HD13 ' A' ' 55' ' ' ILE . 81.0 mt -80.09 121.2 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.16 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.06 160.27 18.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.37 -0.831 . . . . 0.0 109.999 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.622 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.9 t80 -56.58 -27.26 57.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.303 -0.873 . . . . 0.0 110.383 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.8 t -69.6 -54.97 11.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.345 -0.847 . . . . 0.0 110.009 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.98 -29.41 70.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.823 . . . . 0.0 110.055 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.46 -48.64 66.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.317 -0.865 . . . . 0.0 110.058 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.622 HD11 ' CE2' ' A' ' 65' ' ' PHE . 38.9 mt -58.77 -42.54 89.17 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.299 -0.875 . . . . 0.0 109.992 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.14 -47.08 75.24 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.467 -0.77 . . . . 0.0 109.855 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.402 HD22 HD23 ' A' ' 51' ' ' LEU . 24.6 mt -62.36 -35.21 78.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.398 -0.814 . . . . 0.0 109.909 179.703 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.468 ' HE2' ' CD1' ' A' ' 12' ' ' PHE . 86.1 mmm -68.81 -37.4 79.21 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.396 -0.815 . . . . 0.0 109.873 179.675 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.452 -0.78 . . . . 0.0 109.99 179.881 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.221 0.534 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -58.63 -36.71 74.49 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.37 -0.831 . . . . 0.0 110.217 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.87 -29.84 70.98 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.292 -0.88 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.83 -48.12 33.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.381 -0.825 . . . . 0.0 110.028 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.2 -27.02 69.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.831 . . . . 0.0 110.076 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 91' ' ' VAL . 2.9 tp10 -75.31 -48.49 22.92 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.427 -0.796 . . . . 0.0 110.235 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.16 78.76 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.346 -0.846 . . . . 0.0 110.193 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HB3' HD13 ' A' ' 137' ' ' ILE . 20.3 m-85 -62.28 -35.13 78.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.269 -0.895 . . . . 0.0 110.16 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -63.01 -33.97 76.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.343 -0.848 . . . . 0.0 110.268 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 87' ' ' GLU . 61.4 t -80.38 -27.66 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.353 -0.842 . . . . 0.0 110.405 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.454 ' CE2' HG22 ' A' ' 108' ' ' VAL . 6.8 m-85 -80.03 -10.39 59.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.267 -0.896 . . . . 0.0 111.086 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -60.02 -164.91 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.067 -1.02 . . . . 0.0 110.27 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -129.41 -59.49 1.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.316 -0.865 . . . . 0.0 110.241 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.91 -74.24 0.61 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.358 -0.839 . . . . 0.0 110.203 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.07 -49.41 0.02 OUTLIER Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.96 129.97 43.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -1.079 . . . . 0.0 110.211 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.27 88.9 0.06 OUTLIER Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.1 mt -136.74 103.43 5.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.41 -1.053 . . . . 0.0 110.201 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.633 HD11 HD12 ' A' ' 105' ' ' LEU . 36.8 pt -119.76 158.75 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.381 -0.824 . . . . 0.0 110.24 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.8 t -80.02 160.19 25.94 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.413 -0.805 . . . . 0.0 110.156 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.32 -30.26 50.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.365 -0.834 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.84 -54.08 26.03 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.835 . . . . 0.0 110.047 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.701 ' O ' HG23 ' A' ' 108' ' ' VAL . 26.2 mt-10 -62.02 -32.37 72.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.347 -0.846 . . . . 0.0 109.925 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.633 HD12 HD11 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -69.31 -42.82 74.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.382 -0.824 . . . . 0.0 109.988 179.86 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -62.44 -41.18 98.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.393 -0.817 . . . . 0.0 110.097 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -66.22 -32.99 74.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.406 -0.809 . . . . 0.0 110.097 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.6 t -79.97 -40.85 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.466 -0.771 . . . . 0.0 110.077 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -65.83 -31.29 72.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.258 -179.824 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.3 m -80.17 -37.79 32.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 110.352 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.8 t -61.07 -35.34 76.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.322 -0.861 . . . . 0.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 109' ' ' LEU . 62.6 mt -65.64 -28.25 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.304 -0.873 . . . . 0.0 110.039 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.55 37.07 58.41 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.66 176.08 0.71 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.436 -1.038 . . . . 0.0 110.167 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.25 52.28 2.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.367 -0.833 . . . . 0.0 110.096 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 116' ' ' LEU . 72.3 mt -135.54 131.5 36.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.227 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.8 p -84.96 -167.86 1.99 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.358 -0.839 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -74.36 -34.9 63.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -0.796 . . . . 0.0 110.257 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.35 86.94 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.349 -0.844 . . . . 0.0 110.205 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.56 -50.68 62.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -60.12 -27.23 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.347 -0.846 . . . . 0.0 110.165 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.92 -48.4 63.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.2 -27.0 68.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.458 -0.776 . . . . 0.0 110.17 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.59 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.1 ttp -78.65 -28.1 45.38 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.83 . . . . 0.0 110.268 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.73 -38.2 62.35 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.331 -0.856 . . . . 0.0 110.172 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -65.39 -34.3 77.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.385 -0.822 . . . . 0.0 110.252 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.1 -39.41 29.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.353 -0.842 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 124' ' ' MET . 60.4 t -80.58 -51.38 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.379 -0.825 . . . . 0.0 110.148 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.3 t -70.25 115.23 9.2 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.308 -0.87 . . . . 0.0 110.188 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -108.64 28.5 8.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.405 -0.809 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.19 56.97 3.3 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 t -126.42 -44.68 1.69 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.337 -1.096 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 127.88 -63.98 0.6 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.56 155.75 16.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.292 -1.122 . . . . 0.0 110.177 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 87.7 mt -126.06 146.05 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 0.0 110.162 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -80.12 126.72 31.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.433 -0.792 . . . . 0.0 110.162 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.57 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.5 pt -68.5 -18.01 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.43 -0.794 . . . . 0.0 110.499 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -69.21 -43.42 74.14 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.241 -0.912 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -68.7 -43.55 75.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.41 -0.806 . . . . 0.0 110.243 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.597 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.31 -42.56 96.29 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.279 -0.888 . . . . 0.0 110.134 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.56 80.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 110.223 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.45 69.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.44 -0.788 . . . . 0.0 110.156 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.59 HD13 ' CG ' ' A' ' 124' ' ' MET . 8.9 mt -70.23 -30.59 67.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.383 -0.823 . . . . 0.0 110.113 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.92 -18.32 50.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.446 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.244 -0.91 . . . . 0.0 110.317 -179.88 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.151 0.5 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.19 -34.33 72.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.392 -0.817 . . . . 0.0 110.285 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.32 -50.02 67.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.404 -0.81 . . . . 0.0 110.102 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 6.5 mt-30 -64.25 -41.46 96.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -0.809 . . . . 0.0 110.131 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.46 -32.39 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.274 -0.891 . . . . 0.0 109.953 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.1 -35.63 76.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.347 -0.846 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.18 -49.72 63.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.277 -0.889 . . . . 0.0 110.136 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 23.3 m-85 -61.72 -34.39 75.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.096 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -63.64 -41.94 98.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.311 -0.868 . . . . 0.0 110.066 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.97 -48.31 80.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.408 -0.808 . . . . 0.0 110.142 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.48 -35.71 80.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.361 -0.837 . . . . 0.0 110.197 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.77 ' CE1' HG23 ' A' ' 27' ' ' ILE . 4.7 t80 -67.44 -50.22 60.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.385 -0.822 . . . . 0.0 110.223 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.97 68.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.377 -0.827 . . . . 0.0 110.241 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 15' ' ' ALA . 3.5 mt -62.0 -36.24 80.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.399 -0.813 . . . . 0.0 110.168 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -106.81 27.09 9.26 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.376 -0.828 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.407 -0.808 . . . . 0.0 110.133 179.99 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.1 p -146.7 136.99 23.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -1.115 . . . . 0.0 110.164 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.77 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.5 pt -120.88 159.63 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.81 160.03 21.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -63.4 -28.74 70.19 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.341 -0.849 . . . . 0.0 110.229 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -61.72 -28.66 69.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.301 -0.875 . . . . 0.0 110.243 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 12.1 mt-10 -95.89 -12.14 25.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.385 -0.822 . . . . 0.0 110.531 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 58.9 tp -56.09 -55.49 32.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.245 -0.909 . . . . 0.0 110.347 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.16 70.68 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.289 -0.882 . . . . 0.0 110.189 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.5 m -70.59 -38.78 74.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.424 -0.797 . . . . 0.0 110.061 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 31' ' ' GLU . 82.3 t -62.09 -36.16 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.41 -0.806 . . . . 0.0 109.885 179.864 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.3 mtt -72.44 -34.84 68.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.443 -0.786 . . . . 0.0 109.933 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -66.42 -33.55 75.97 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.429 -0.795 . . . . 0.0 110.15 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 m -79.15 -31.33 43.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.818 . . . . 0.0 110.19 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mt -68.33 -21.13 64.76 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.331 -0.855 . . . . 0.0 110.362 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.89 31.91 1.66 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.7 mt -122.32 176.77 5.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.37 -1.077 . . . . 0.0 110.19 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -168.77 69.9 0.74 Allowed Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.113 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.72 138.48 29.15 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.744 1.391 . . . . 0.0 110.365 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.39 167.87 0.89 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.288 -0.883 . . . . 0.0 110.139 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.23 -29.69 67.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.406 -0.809 . . . . 0.0 110.098 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.52 -41.73 72.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -0.831 . . . . 0.0 110.01 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.02 -40.68 96.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.443 -0.786 . . . . 0.0 109.962 179.787 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.2 -49.19 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.398 -0.814 . . . . 0.0 109.936 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 3.4 t-20 -52.24 -46.1 65.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.327 -0.858 . . . . 0.0 110.428 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -56.7 -47.07 80.72 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.237 -0.915 . . . . 0.0 109.941 179.698 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.469 HD22 HD22 ' A' ' 71' ' ' LEU . 28.6 mt -65.52 -51.81 57.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.464 -0.772 . . . . 0.0 109.845 179.658 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.493 ' HE3' ' HB3' ' A' ' 32' ' ' LEU . 1.3 mpt? -63.33 -25.96 68.55 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.359 -0.838 . . . . 0.0 110.159 179.849 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 49' ' ' ASN . 1.7 m-80 -68.98 -39.25 79.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.352 -0.842 . . . . 0.0 109.839 179.685 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -75.25 -31.85 60.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.475 -0.766 . . . . 0.0 109.728 179.64 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.427 HD11 ' CD1' ' A' ' 71' ' ' LEU . 15.9 mt -84.23 -62.63 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.493 -0.754 . . . . 0.0 109.857 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.431 -0.793 . . . . 0.0 110.272 -179.964 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.104 0.478 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.91 136.26 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.379 -0.826 . . . . 0.0 110.295 -179.823 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -97.94 160.22 14.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.441 -0.787 . . . . 0.0 109.917 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.825 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.9 t80 -57.14 -27.12 61.57 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.85 . . . . 0.0 110.412 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.8 m -68.8 -61.22 1.9 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.265 -0.897 . . . . 0.0 110.113 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.65 -28.79 70.16 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -0.796 . . . . 0.0 110.07 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -67.44 -47.3 70.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 110.076 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.825 HD11 ' CE2' ' A' ' 65' ' ' PHE . 34.6 mt -60.95 -38.34 85.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.342 -0.848 . . . . 0.0 110.081 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.72 96.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.345 -0.847 . . . . 0.0 110.18 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.469 HD22 HD22 ' A' ' 51' ' ' LEU . 19.1 mt -63.76 -46.72 84.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 0.0 110.084 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.4 mtp -64.45 -38.82 92.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.386 -0.821 . . . . 0.0 110.023 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.351 -0.843 . . . . 0.0 110.201 179.9 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.219 0.533 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -55.46 -41.35 72.78 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.35 -0.844 . . . . 0.0 110.364 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.54 -34.3 77.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.015 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.606 HD22 ' HE2' ' A' ' 89' ' ' PHE . 10.1 mt -67.41 -48.93 65.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.389 -0.819 . . . . 0.0 109.919 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.09 -40.04 94.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.436 -0.79 . . . . 0.0 109.872 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -43.86 53.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.463 -0.773 . . . . 0.0 110.005 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.543 ' HB1' HG13 ' A' ' 108' ' ' VAL . . . -61.29 -46.4 90.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.472 -0.767 . . . . 0.0 110.295 179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.606 ' HE2' HD22 ' A' ' 85' ' ' LEU . 9.8 m-85 -63.02 -38.8 92.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.381 -0.825 . . . . 0.0 110.183 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -38.8 83.8 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.295 -0.878 . . . . 0.0 110.307 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.7 t -72.13 -37.93 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.293 -0.879 . . . . 0.0 110.02 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.2 m-85 -73.99 -30.78 62.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.165 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 95' ' ' ASN . 6.6 t70 -68.15 -23.27 64.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.342 -0.849 . . . . 0.0 110.231 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.54 -72.62 0.06 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.54 -0.725 . . . . 0.0 110.436 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -57.74 -53.91 52.8 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.234 -0.916 . . . . 0.0 110.308 -179.912 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.57 33.71 2.41 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.2 -39.66 9.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.401 -1.058 . . . . 0.0 110.187 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.17 33.12 2.41 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 99' ' ' LEU . 82.3 mt -140.48 122.13 15.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.354 -1.086 . . . . 0.0 110.217 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 pt -143.29 160.7 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.443 -0.785 . . . . 0.0 110.172 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 m -79.2 160.12 27.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.377 -0.827 . . . . 0.0 110.288 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.23 -30.21 49.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.396 -0.815 . . . . 0.0 110.506 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.73 -57.46 11.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.267 -0.896 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.801 ' O ' HG23 ' A' ' 108' ' ' VAL . 44.8 mt-10 -61.39 -32.37 72.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.416 -0.803 . . . . 0.0 109.944 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -41.43 79.61 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.482 -0.761 . . . . 0.0 110.042 179.882 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -41.17 97.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.329 -0.857 . . . . 0.0 110.082 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -64.73 -33.87 76.99 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.404 -0.81 . . . . 0.0 110.072 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.4 t -70.61 -43.99 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 0.0 110.056 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.51 -30.65 71.43 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.407 -0.808 . . . . 0.0 110.19 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.3 m -78.84 -32.18 46.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.435 -0.791 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.38 -37.77 71.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.306 -0.871 . . . . 0.0 110.184 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.83 -26.68 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.415 -0.803 . . . . 0.0 110.03 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.48 28.97 50.86 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.78 157.79 23.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.386 -1.067 . . . . 0.0 110.177 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.69 58.75 5.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.232 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.664 HD11 HD22 ' A' ' 144' ' ' LEU . 66.4 mt -133.45 139.38 46.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.375 -0.828 . . . . 0.0 110.178 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.5 p -101.85 -178.24 3.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.355 -0.84 . . . . 0.0 110.223 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.31 -31.77 72.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.353 -0.842 . . . . 0.0 110.157 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.24 82.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.353 -0.842 . . . . 0.0 110.198 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.63 -47.69 82.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.315 -0.866 . . . . 0.0 110.087 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.57 -29.14 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.36 -0.838 . . . . 0.0 109.991 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.5 -47.77 71.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.376 -0.828 . . . . 0.0 109.995 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.27 -28.76 69.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.403 -0.81 . . . . 0.0 110.013 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.495 ' O ' HG23 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -79.47 -36.71 38.32 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.324 -0.86 . . . . 0.0 110.097 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 125' ' ' LEU . 8.4 mt -62.65 -39.5 94.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.368 -0.833 . . . . 0.0 110.227 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -61.8 -38.6 88.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.279 -0.888 . . . . 0.0 110.305 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -80.19 -36.68 34.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.334 -0.853 . . . . 0.0 110.522 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.726 HG12 HG23 ' A' ' 135' ' ' ILE . 59.7 t -80.88 -25.98 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.358 -0.839 . . . . 0.0 110.406 -179.814 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.1 t -59.72 100.38 0.08 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.284 -0.885 . . . . 0.0 110.271 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -113.57 -28.94 7.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.84 -98.39 2.37 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.6 m -158.35 -59.7 0.08 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.447 -1.031 . . . . 0.0 110.177 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -126.04 29.91 4.49 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -145.4 138.09 26.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -1.043 . . . . 0.0 110.172 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.726 HG23 HG12 ' A' ' 128' ' ' VAL . 87.4 mt -134.71 145.89 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.386 -0.821 . . . . 0.0 110.107 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -80.72 129.96 34.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -0.792 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.543 HG21 ' HB3' ' A' ' 89' ' ' PHE . 11.7 pt -66.66 -20.53 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.326 -0.859 . . . . 0.0 110.492 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -70.7 -36.22 73.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.223 -0.923 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.424 ' O ' HD12 ' A' ' 143' ' ' LEU . 10.8 mm-40 -68.33 -49.73 58.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.332 -0.855 . . . . 0.0 110.224 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.402 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.4 OUTLIER -65.22 -36.2 83.42 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.352 -0.842 . . . . 0.0 110.117 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.46 71.42 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.357 -0.84 . . . . 0.0 110.242 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.0 -34.7 38.26 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.829 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 139' ' ' GLN . 2.5 mt -64.61 -42.39 95.57 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.381 -0.824 . . . . 0.0 110.278 -179.88 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.664 HD22 HD11 ' A' ' 116' ' ' LEU . 89.0 mt -70.2 -48.77 55.66 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.285 -0.884 . . . . 0.0 110.145 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.44 -0.787 . . . . 0.0 110.126 179.999 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.133 0.492 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.98 -29.1 70.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.415 -0.803 . . . . 0.0 110.12 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -70.01 -46.54 64.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.396 -0.815 . . . . 0.0 110.057 179.829 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -66.78 -42.41 86.09 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.379 -0.825 . . . . 0.0 110.01 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.7 mt -67.96 -34.65 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.319 -0.863 . . . . 0.0 109.841 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.04 -31.7 72.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.375 -0.828 . . . . 0.0 109.84 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.01 -48.91 56.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 109.989 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -62.5 -36.84 83.8 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.373 -0.829 . . . . 0.0 110.016 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -62.99 -40.28 97.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.444 -0.785 . . . . 0.0 110.195 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.39 -52.71 62.52 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.335 -0.853 . . . . 0.0 110.18 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.98 86.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.353 -0.842 . . . . 0.0 110.204 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.5 t80 -67.25 -46.45 73.66 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.299 -0.876 . . . . 0.0 110.098 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -27.84 69.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.374 -0.828 . . . . 0.0 110.145 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.76 -34.04 76.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.29 -0.881 . . . . 0.0 110.144 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -108.77 27.85 9.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.391 -0.818 . . . . 0.0 110.21 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.434 -0.791 . . . . 0.0 110.03 179.95 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 p -148.0 139.92 24.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.38 -1.071 . . . . 0.0 110.158 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.601 HG23 ' CE1' ' A' ' 16' ' ' PHE . 46.5 pt -122.33 159.28 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.395 -0.815 . . . . 0.0 110.234 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -84.25 160.08 20.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 0.0 110.263 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -38.77 88.09 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.405 -0.81 . . . . 0.0 110.265 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -57.19 -28.84 63.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.342 -0.849 . . . . 0.0 110.337 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.1 mt-10 -91.47 -17.12 26.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.503 HD22 HD13 ' A' ' 55' ' ' ILE . 48.7 tp -56.45 -48.56 76.8 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.284 -0.885 . . . . 0.0 110.422 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.31 -38.63 84.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.896 . . . . 0.0 110.155 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.7 m -68.26 -37.17 80.45 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.019 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 31' ' ' GLU . 81.1 t -61.49 -37.96 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.407 -0.808 . . . . 0.0 109.977 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.8 mtt -69.9 -38.34 76.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.368 -0.832 . . . . 0.0 110.012 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -64.47 -35.19 80.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.373 -0.83 . . . . 0.0 110.181 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -78.95 -34.19 44.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.375 -0.828 . . . . 0.0 110.204 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.35 -22.16 66.86 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.393 -0.817 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.42 30.66 1.83 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.9 mt -121.68 179.53 4.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.287 -1.125 . . . . 0.0 110.176 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.73 68.81 0.87 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.359 -0.838 . . . . 0.0 110.214 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.6 137.84 25.77 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.655 1.345 . . . . 0.0 110.344 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 169.44 2.3 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.399 -0.813 . . . . 0.0 110.114 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.78 -27.91 65.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.334 -0.854 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.81 -41.75 71.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 110.122 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.26 -36.05 81.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.413 -0.804 . . . . 0.0 110.144 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.34 -41.41 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.324 -0.86 . . . . 0.0 110.013 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -40.45 93.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.345 -0.847 . . . . 0.0 110.057 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.07 -50.42 72.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.367 -0.833 . . . . 0.0 110.018 179.816 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 55' ' ' ILE . 7.8 mp -62.82 -42.78 99.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.322 -0.861 . . . . 0.0 109.931 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 mtt -68.21 -29.17 67.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.859 . . . . 0.0 109.832 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -66.05 -38.93 89.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.439 -0.788 . . . . 0.0 109.891 179.723 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -72.57 -34.6 67.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.399 -0.813 . . . . 0.0 109.958 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 51' ' ' LEU . 10.0 mt -83.9 -61.39 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.443 -0.786 . . . . 0.0 109.995 179.803 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 110.04 179.973 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.106 0.479 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CD1' HD22 ' A' ' 32' ' ' LEU . 73.0 mt -87.7 127.7 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 110.242 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.73 160.07 16.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.461 -0.774 . . . . 0.0 110.041 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.728 ' CE2' HD11 ' A' ' 69' ' ' LEU . 22.2 t80 -56.66 -36.5 69.63 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.257 -0.902 . . . . 0.0 110.361 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.0 m -62.97 -54.67 34.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.393 -0.817 . . . . 0.0 110.119 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.62 -28.53 69.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.416 -0.802 . . . . 0.0 110.237 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -69.87 -47.95 60.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.481 -0.762 . . . . 0.0 110.24 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.728 HD11 ' CE2' ' A' ' 65' ' ' PHE . 50.5 mt -60.45 -35.74 76.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.356 -0.84 . . . . 0.0 110.11 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.2 -48.11 62.98 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.426 -0.796 . . . . 0.0 110.196 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.04 -42.76 99.09 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.381 -0.824 . . . . 0.0 110.201 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.5 mmm -63.44 -38.51 91.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.392 -0.817 . . . . 0.0 110.167 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.347 -0.846 . . . . 0.0 110.203 179.954 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.152 0.501 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -72.74 -20.77 61.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.33 -0.856 . . . . 0.0 110.324 179.862 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -49.6 12.69 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.204 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.75 -39.8 74.65 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.937 -178.893 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.69 -43.84 83.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.577 -0.702 . . . . 0.0 109.707 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.668 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.1 mt-10 -58.42 -41.25 84.57 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.441 -0.787 . . . . 0.0 110.149 179.759 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.0 64.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.29 -0.881 . . . . 0.0 109.993 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.665 ' HB3' HD13 ' A' ' 137' ' ' ILE . 4.7 m-85 -60.73 -27.35 67.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.139 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -38.05 59.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.013 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 87' ' ' GLU . 68.0 t -62.39 -46.06 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.302 -0.874 . . . . 0.0 110.062 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD1' HG22 ' A' ' 108' ' ' VAL . 13.4 m-85 -63.08 -34.1 76.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 95' ' ' ASN . 27.2 t0 -81.93 -10.03 59.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.354 -0.841 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.72 -76.01 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.33 -0.856 . . . . 0.0 110.452 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' ASP . 19.0 m120 -154.77 31.2 0.41 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.102 -0.999 . . . . 0.0 110.255 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -91.31 42.88 2.81 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.854 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.92 -75.09 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.462 -1.023 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' GLY . . . -173.22 52.88 0.16 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.422 ' C ' HG23 ' A' ' 100' ' ' ILE . 8.1 mt -137.07 136.24 38.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.435 -1.038 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.422 HG23 ' C ' ' A' ' 99' ' ' LEU . 42.9 pt -147.47 160.4 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.392 -0.818 . . . . 0.0 110.215 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.54 160.2 26.58 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.335 -0.853 . . . . 0.0 110.229 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.57 41.1 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.329 -0.857 . . . . 0.0 110.556 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.37 -55.0 36.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.306 -0.871 . . . . 0.0 110.118 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.773 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.5 mm-40 -63.58 -29.15 70.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.285 -0.884 . . . . 0.0 109.967 179.762 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.692 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.3 tp -70.37 -39.02 74.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.367 -0.833 . . . . 0.0 110.098 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -69.72 -36.72 76.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.326 -0.859 . . . . 0.0 110.218 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -68.51 -35.47 77.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.217 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 104' ' ' GLU . 90.1 t -69.66 -43.66 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.448 -0.782 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.48 -34.62 77.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.882 . . . . 0.0 110.054 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.7 m -79.99 -31.3 39.79 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.339 -0.851 . . . . 0.0 110.102 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.0 t -71.99 -42.55 66.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.344 -0.847 . . . . 0.0 110.158 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.431 HD11 HG12 ' A' ' 108' ' ' VAL . 73.3 mt -62.46 -27.77 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.333 -0.855 . . . . 0.0 109.994 179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.95 28.89 27.4 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.0 148.33 46.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.265 -1.138 . . . . 0.0 110.095 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.62 61.94 6.56 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.357 -0.839 . . . . 0.0 110.325 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.4 HD11 HD22 ' A' ' 144' ' ' LEU . 26.7 mt -115.08 120.47 39.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.313 -0.867 . . . . 0.0 110.107 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.6 p -79.28 -175.97 4.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.338 -0.851 . . . . 0.0 110.251 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -31.95 68.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.93 99.41 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.422 -0.799 . . . . 0.0 110.129 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.2 -51.54 67.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.424 -0.798 . . . . 0.0 110.18 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.411 HG12 HD12 ' A' ' 125' ' ' LEU . 57.5 t -62.32 -27.97 43.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.338 -0.851 . . . . 0.0 110.07 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.62 -45.53 61.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.35 -0.844 . . . . 0.0 110.115 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -71.33 -34.57 70.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.357 -0.839 . . . . 0.0 110.161 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.464 ' O ' HG23 ' A' ' 128' ' ' VAL . 17.5 mtp -74.85 -26.27 59.57 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.374 -0.829 . . . . 0.0 110.194 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.411 HD12 HG12 ' A' ' 121' ' ' VAL . 9.7 mt -76.28 -39.11 55.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.276 -0.89 . . . . 0.0 110.194 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -33.38 74.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.367 -0.833 . . . . 0.0 110.146 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -80.06 -27.27 39.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.855 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.722 HG12 HG23 ' A' ' 135' ' ' ILE . 51.7 t -98.74 -60.9 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.307 -0.871 . . . . 0.0 110.158 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -61.56 116.79 5.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.429 -0.794 . . . . 0.0 110.202 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -145.69 28.37 1.17 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.358 -0.839 . . . . 0.0 110.229 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -148.1 -107.78 0.48 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.0 t -171.85 -35.81 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.342 -1.093 . . . . 0.0 110.328 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -55.37 -96.08 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.15 160.16 41.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -1.135 . . . . 0.0 110.437 -179.791 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.722 HG23 HG12 ' A' ' 128' ' ' VAL . 67.4 mt -94.79 145.29 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.369 -0.832 . . . . 0.0 110.107 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -80.7 132.82 35.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.665 HD13 ' HB3' ' A' ' 89' ' ' PHE . 4.5 pt -69.45 -17.93 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.425 -0.797 . . . . 0.0 110.507 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 -53.33 59.49 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.27 -0.894 . . . . 0.0 110.228 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -62.55 -48.86 77.64 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.422 -0.799 . . . . 0.0 110.172 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.692 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.44 -50.95 69.44 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.299 -0.876 . . . . 0.0 110.004 179.858 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.86 -28.74 69.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.388 -0.82 . . . . 0.0 110.157 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.65 62.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.403 -0.81 . . . . 0.0 110.062 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.4 mt -69.0 -33.58 73.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -0.831 . . . . 0.0 110.07 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.4 HD22 HD11 ' A' ' 116' ' ' LEU . 88.6 mt -74.07 -52.81 11.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.341 -0.849 . . . . 0.0 110.125 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 110.148 179.958 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.134 0.492 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -62.1 -36.46 81.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.318 -0.864 . . . . 0.0 110.192 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -69.2 -38.32 78.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.358 -0.839 . . . . 0.0 110.054 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 3.8 mm-40 -67.97 -43.76 78.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.335 -0.853 . . . . 0.0 110.012 179.817 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.24 -39.88 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.41 -0.806 . . . . 0.0 109.925 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.74 -36.24 80.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.305 -0.872 . . . . 0.0 109.901 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.09 -53.49 57.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.348 -0.845 . . . . 0.0 109.775 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.2 m-85 -60.27 -30.55 69.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.395 -0.816 . . . . 0.0 109.502 179.408 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -61.29 -43.36 99.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.582 -0.699 . . . . 0.0 109.974 179.618 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.17 -43.68 86.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.421 -0.799 . . . . 0.0 110.328 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.67 -28.15 60.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.292 -0.88 . . . . 0.0 110.419 -179.878 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -80.12 -36.24 35.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.194 -0.941 . . . . 0.0 110.228 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.77 -25.46 53.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.434 -0.792 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.21 -26.66 63.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.361 -0.837 . . . . 0.0 110.325 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -108.5 26.31 10.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.283 -0.885 . . . . 0.0 110.355 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 0.0 110.176 -179.948 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.0 p -138.55 130.2 27.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.326 -1.102 . . . . 0.0 110.143 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -111.95 158.57 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.401 -0.812 . . . . 0.0 110.249 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -89.15 160.24 17.1 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 110.325 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -37.25 76.79 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.473 -0.767 . . . . 0.0 110.429 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.82 -25.61 56.3 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.315 -0.866 . . . . 0.0 110.387 -179.778 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.764 ' O ' HG23 ' A' ' 35' ' ' VAL . 37.7 mt-10 -98.72 -16.17 19.08 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.424 -0.797 . . . . 0.0 110.381 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD22 ' CD1' ' A' ' 63' ' ' ILE . 58.4 tp -57.16 -52.67 64.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.221 -0.924 . . . . 0.0 110.396 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.34 81.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.343 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.2 m -66.54 -39.03 88.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 31' ' ' GLU . 97.6 t -61.51 -39.85 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.32 -0.863 . . . . 0.0 109.871 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.8 mtt -67.43 -33.66 75.62 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.315 -0.866 . . . . 0.0 109.667 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -69.09 -29.67 67.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.47 -0.769 . . . . 0.0 109.977 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -77.88 -35.35 50.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.818 . . . . 0.0 110.208 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.26 -29.27 68.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.355 -0.841 . . . . 0.0 110.114 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.83 -5.65 4.05 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -80.98 172.56 13.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -1.185 . . . . 0.0 110.229 -179.82 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.8 t -167.3 61.53 0.58 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.438 -0.789 . . . . 0.0 110.054 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HB2' ' CB ' ' A' ' 47' ' ' GLU . 45.9 Cg_endo -73.63 137.49 25.14 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.723 1.38 . . . . 0.0 110.416 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 m -64.28 174.29 1.69 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.364 -0.835 . . . . 0.0 109.999 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.23 -30.75 66.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.279 -0.888 . . . . 0.0 110.164 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.69 81.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.478 -0.764 . . . . 0.0 109.942 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 43' ' ' PRO . 26.9 mt-10 -65.18 -41.91 94.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.397 -0.815 . . . . 0.0 109.686 179.698 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.55 -43.85 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.399 -0.813 . . . . 0.0 109.645 179.559 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -54.88 -45.57 74.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.874 . . . . 0.0 110.034 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.68 -48.51 77.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.333 -0.854 . . . . 0.0 109.662 179.484 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -63.02 -53.1 59.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.421 -0.799 . . . . 0.0 109.885 179.542 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -61.95 -26.99 68.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.353 -0.842 . . . . 0.0 110.15 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -67.64 -37.72 82.86 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.357 -0.839 . . . . 0.0 109.966 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -78.76 -30.01 45.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.356 -0.84 . . . . 0.0 109.983 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.1 mt -90.34 -64.17 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 0.0 110.012 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.343 -0.848 . . . . 0.0 110.392 -179.8 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.171 0.51 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.511 ' CD1' HD22 ' A' ' 32' ' ' LEU . 80.0 mt -90.82 141.51 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.417 -0.802 . . . . 0.0 110.148 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -100.2 160.05 14.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.431 -0.793 . . . . 0.0 110.09 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.8 ' CE2' HD11 ' A' ' 69' ' ' LEU . 23.9 t80 -58.33 -34.86 71.09 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.349 -0.844 . . . . 0.0 110.438 -179.83 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -62.38 -57.45 11.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.378 -0.826 . . . . 0.0 110.173 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.63 -31.34 72.17 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.423 -0.798 . . . . 0.0 110.08 179.842 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -65.66 -48.69 71.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.422 -0.799 . . . . 0.0 110.138 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.8 HD11 ' CE2' ' A' ' 65' ' ' PHE . 45.1 mt -59.44 -38.96 82.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.327 -0.858 . . . . 0.0 110.169 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.1 -46.9 82.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.35 -0.844 . . . . 0.0 109.988 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.34 -42.62 98.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.374 -0.829 . . . . 0.0 109.985 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.7 mmm -65.22 -38.61 90.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.456 -0.778 . . . . 0.0 110.073 179.818 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.434 -0.792 . . . . 0.0 110.182 179.991 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.236 0.541 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.39 -27.06 63.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.34 -0.85 . . . . 0.0 110.34 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -67.56 -43.29 81.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.362 -0.836 . . . . 0.0 110.036 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -47.05 78.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.351 -0.843 . . . . 0.0 110.062 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.65 -35.16 80.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 110.052 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -71.38 -43.81 66.17 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.429 -0.795 . . . . 0.0 110.107 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.05 98.59 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.272 -0.892 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.507 ' HB3' HG21 ' A' ' 137' ' ' ILE . 13.5 m-85 -66.96 -31.98 72.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.123 179.848 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -66.52 -39.78 88.8 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.413 -0.804 . . . . 0.0 110.155 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.86 -34.13 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.876 . . . . 0.0 110.08 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.535 ' CE2' HG22 ' A' ' 108' ' ' VAL . 7.5 m-85 -71.97 -30.31 65.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.339 -0.851 . . . . 0.0 110.182 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -93.91 164.3 13.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.458 -0.776 . . . . 0.0 110.236 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 96' ' ' GLY . 29.3 mmtt -97.16 169.51 9.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 110.227 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 55.74 -86.4 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.601 -0.687 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 155.91 50.37 0.01 OUTLIER Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.0 -53.66 3.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.343 -1.092 . . . . 0.0 110.235 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.27 38.68 1.0 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.4 mt -126.95 124.87 40.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.317 -1.107 . . . . 0.0 110.189 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.2 pt -145.49 160.13 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.352 -0.842 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.3 m -79.81 160.22 26.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.446 -0.783 . . . . 0.0 110.183 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.72 -27.54 28.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.293 -0.879 . . . . 0.0 110.489 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.09 -55.03 21.12 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.339 -0.851 . . . . 0.0 110.092 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.757 ' O ' HG23 ' A' ' 108' ' ' VAL . 27.5 mt-10 -61.88 -33.12 73.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.36 -0.838 . . . . 0.0 110.082 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.823 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -67.39 -39.58 85.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.443 -0.786 . . . . 0.0 110.053 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -67.11 -39.89 86.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.458 -0.776 . . . . 0.0 110.195 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -67.75 -29.05 68.17 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.326 -0.859 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 104' ' ' GLU . 77.2 t -78.92 -42.87 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.32 -0.862 . . . . 0.0 110.136 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.439 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -63.09 -31.12 72.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.369 -0.832 . . . . 0.0 110.098 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.0 m -74.6 -43.08 57.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.319 -0.863 . . . . 0.0 110.205 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.1 t -61.95 -38.68 89.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.379 -0.826 . . . . 0.0 110.12 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 109' ' ' LEU . 62.9 mt -64.59 -26.56 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.305 -0.872 . . . . 0.0 110.094 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.57 33.44 55.98 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.98 179.75 0.26 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.417 -1.049 . . . . 0.0 110.082 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -110.02 62.41 0.6 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.417 -0.802 . . . . 0.0 110.222 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.406 ' CD1' ' CD2' ' A' ' 144' ' ' LEU . 76.6 mt -132.44 111.45 11.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.354 -0.841 . . . . 0.0 110.219 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.7 p -62.41 178.99 0.35 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.358 -0.839 . . . . 0.0 110.208 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.27 -37.88 88.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.315 -0.866 . . . . 0.0 110.187 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.75 -29.13 69.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 110.141 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.7 -50.0 34.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.32 -0.862 . . . . 0.0 110.124 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.5 t -62.21 -30.07 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.406 -0.809 . . . . 0.0 109.941 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.09 -45.41 73.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.321 -0.862 . . . . 0.0 110.049 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.35 -33.18 73.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.38 -0.825 . . . . 0.0 110.06 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.441 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 7.8 ttp -73.36 -28.85 62.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.441 -0.787 . . . . 0.0 110.066 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.05 -32.62 59.4 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.831 . . . . 0.0 110.07 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -68.07 -32.92 73.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.402 -0.811 . . . . 0.0 110.172 179.905 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -28.01 39.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.355 -0.84 . . . . 0.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.526 HG12 HG23 ' A' ' 135' ' ' ILE . 57.3 t -93.95 -25.79 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.7 t -61.67 88.18 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 110.337 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.54 -30.18 7.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.387 -0.821 . . . . 0.0 110.166 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.71 -95.84 0.54 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.8 m -159.79 -42.89 0.05 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.409 -1.053 . . . . 0.0 110.271 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.11 -45.19 0.04 OUTLIER Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -79.95 141.16 36.27 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.313 -1.11 . . . . 0.0 110.171 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.526 HG23 HG12 ' A' ' 128' ' ' VAL . 79.0 mt -130.08 159.88 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.361 -0.837 . . . . 0.0 110.145 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -88.16 128.15 35.44 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.442 -0.786 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.507 HG21 ' HB3' ' A' ' 89' ' ' PHE . 17.3 pt -67.97 -21.37 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.381 -0.825 . . . . 0.0 110.491 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -59.56 -53.68 55.26 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.291 -0.881 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -42.73 99.61 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.463 -0.773 . . . . 0.0 110.155 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.823 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -69.47 -33.7 73.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.39 -0.819 . . . . 0.0 110.077 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.86 -28.41 67.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.278 -0.889 . . . . 0.0 110.101 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.79 -35.33 38.71 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.389 -0.819 . . . . 0.0 110.125 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.36 -33.97 73.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.248 -0.908 . . . . 0.0 110.197 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.406 ' CD2' ' CD1' ' A' ' 116' ' ' LEU . 90.4 mt -79.65 -49.81 11.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.345 -0.847 . . . . 0.0 110.19 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 110.225 -179.996 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.133 0.492 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.03 -33.76 73.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.282 -0.886 . . . . 0.0 110.131 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.73 -49.26 69.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.334 -0.853 . . . . 0.0 110.0 179.887 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.9 mt-30 -64.4 -43.51 94.19 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.378 -0.826 . . . . 0.0 110.081 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.71 -30.95 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.835 . . . . 0.0 109.889 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.56 86.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.379 -0.825 . . . . 0.0 110.029 179.871 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.56 -48.12 80.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.369 -0.832 . . . . 0.0 110.1 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.9 m-85 -60.95 -36.86 80.47 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.269 -0.894 . . . . 0.0 110.029 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 4.5 ttmm -60.57 -40.83 93.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.461 -0.774 . . . . 0.0 110.174 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.89 -52.3 63.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.422 -0.799 . . . . 0.0 110.042 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.64 84.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.344 -0.847 . . . . 0.0 110.159 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.762 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.1 t80 -67.59 -46.2 73.29 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.364 -0.835 . . . . 0.0 110.116 179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -29.77 70.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.336 -0.853 . . . . 0.0 110.138 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.38 -37.13 84.56 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.441 -0.787 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -103.69 26.04 9.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.308 -0.87 . . . . 0.0 110.21 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.2 t70 . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.395 -0.816 . . . . 0.0 110.23 -179.998 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 p -138.18 134.69 34.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -1.093 . . . . 0.0 110.294 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.762 HG23 ' CE1' ' A' ' 16' ' ' PHE . 42.6 pt -120.15 159.88 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.424 -0.797 . . . . 0.0 110.177 179.891 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -82.64 155.79 24.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.331 -0.856 . . . . 0.0 110.171 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.02 -28.39 69.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.386 -0.821 . . . . 0.0 110.156 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.7 m -60.7 -34.42 74.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.326 -0.859 . . . . 0.0 110.157 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.75 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.0 mt-10 -91.45 -11.28 38.05 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.437 -0.79 . . . . 0.0 110.46 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' CD1' ' A' ' 63' ' ' ILE . 56.6 tp -57.1 -48.86 77.59 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.156 -0.965 . . . . 0.0 110.367 -179.86 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.68 88.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.311 -0.868 . . . . 0.0 110.118 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.8 m -66.51 -40.65 89.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.934 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 31' ' ' GLU . 97.1 t -57.53 -40.02 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.294 -0.879 . . . . 0.0 109.712 179.606 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.2 mtt -71.09 -29.51 65.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.43 -0.794 . . . . 0.0 109.509 179.383 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -37.61 87.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.468 -0.77 . . . . 0.0 109.766 179.646 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -33.06 39.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.406 -0.809 . . . . 0.0 110.175 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.6 -23.39 67.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.343 -0.848 . . . . 0.0 110.306 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.37 31.14 1.73 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -122.4 177.24 5.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.317 -1.107 . . . . 0.0 110.075 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.1 p -167.92 66.28 0.75 Allowed Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.36 137.84 26.36 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.761 1.4 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -61.72 175.71 0.61 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.363 -0.836 . . . . 0.0 110.186 179.962 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -33.65 74.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.422 -0.799 . . . . 0.0 110.168 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.6 95.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.316 -0.865 . . . . 0.0 110.091 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.33 -39.66 92.7 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.41 -0.806 . . . . 0.0 110.035 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 44' ' ' SER . 62.6 t -66.18 -40.78 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.497 -0.752 . . . . 0.0 109.975 179.904 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -36.78 84.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 110.027 179.889 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -63.45 -48.08 79.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.347 -0.846 . . . . 0.0 110.088 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.05 -39.37 94.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.374 -0.829 . . . . 0.0 110.08 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.6 mtt -68.05 -29.58 68.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.349 -0.844 . . . . 0.0 110.076 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -68.12 -43.4 78.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.38 -0.825 . . . . 0.0 110.048 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.28 -28.06 64.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.84 . . . . 0.0 110.058 179.875 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.587 HD13 HD11 ' A' ' 63' ' ' ILE . 2.6 mt -88.14 -53.28 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.366 -0.834 . . . . 0.0 110.039 179.908 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.176 -0.952 . . . . 0.0 110.663 -179.605 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.231 0.539 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.587 HD11 HD13 ' A' ' 55' ' ' ILE . 79.4 mt -79.96 125.72 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 0.0 110.394 -179.663 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 160.21 16.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.48 -0.762 . . . . 0.0 109.969 179.788 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 69' ' ' LEU . 21.1 t80 -56.27 -36.24 68.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.311 -0.868 . . . . 0.0 110.34 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -54.92 25.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.891 . . . . 0.0 110.066 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.87 -35.16 79.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.412 -0.805 . . . . 0.0 110.095 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.13 -48.2 81.19 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.396 -0.815 . . . . 0.0 110.093 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 65' ' ' PHE . 48.1 mt -58.89 -39.92 82.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.305 -0.872 . . . . 0.0 110.151 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.96 -48.88 69.84 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.267 -0.896 . . . . 0.0 110.052 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.2 -37.21 86.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.319 -0.863 . . . . 0.0 109.918 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.8 mmm -64.93 -42.96 94.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.422 -0.799 . . . . 0.0 110.047 179.849 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.494 1.73 0 O-C-N 121.302 -0.874 . . . . 0.0 110.267 179.94 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.173 0.511 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.11 -35.68 73.85 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.358 -0.839 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.56 -37.45 86.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.389 -0.82 . . . . 0.0 110.13 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.57 HD22 ' HE2' ' A' ' 89' ' ' PHE . 3.2 mt -65.99 -46.65 77.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.347 -0.846 . . . . 0.0 110.149 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.37 -30.6 70.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.363 -0.836 . . . . 0.0 110.149 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -71.42 -49.81 38.12 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.463 -0.773 . . . . 0.0 109.912 179.901 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.86 97.26 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.363 -0.836 . . . . 0.0 110.106 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HE2' HD22 ' A' ' 85' ' ' LEU . 7.1 m-85 -61.26 -43.1 99.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.314 -0.866 . . . . 0.0 110.091 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -61.47 -37.45 83.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.374 -0.829 . . . . 0.0 110.124 179.889 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 87' ' ' GLU . 65.7 t -63.86 -37.37 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.367 -0.833 . . . . 0.0 110.051 179.819 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -73.72 -32.4 63.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.464 -0.773 . . . . 0.0 110.223 179.889 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -90.6 100.44 13.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.417 -0.802 . . . . 0.0 110.261 -179.939 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -60.53 -59.18 5.8 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 110.042 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -146.51 42.59 1.17 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.344 -0.848 . . . . 0.0 110.197 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.55 31.11 7.82 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 p30 36.86 34.84 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.731 -0.864 . . . . 0.0 111.377 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.59 40.63 5.94 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.487 HD21 ' ND2' ' A' ' 136' ' ' ASN . 96.0 mt -137.07 114.12 10.64 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.293 -1.122 . . . . 0.0 110.268 179.892 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.53 HD11 HD12 ' A' ' 105' ' ' LEU . 42.8 pt -124.7 160.28 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.417 -0.802 . . . . 0.0 110.153 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.7 t -79.63 160.05 26.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 0.0 110.199 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.8 -32.69 65.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.35 -0.844 . . . . 0.0 110.383 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.2 -54.28 40.06 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.31 -0.869 . . . . 0.0 110.107 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.788 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 mm-40 -61.6 -36.71 81.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.369 -0.832 . . . . 0.0 110.094 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.807 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -65.02 -39.43 93.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.097 179.85 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -66.07 -42.86 88.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 110.131 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -63.95 -29.29 70.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.203 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 104' ' ' GLU . 70.0 t -74.22 -45.65 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.424 -0.798 . . . . 0.0 110.014 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -31.44 70.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.271 -0.893 . . . . 0.0 110.215 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.4 m -80.08 -33.82 38.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.362 -0.837 . . . . 0.0 110.144 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.1 t -71.22 -40.06 71.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.349 -0.845 . . . . 0.0 110.207 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.15 -26.28 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.443 -0.785 . . . . 0.0 110.082 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.88 28.6 41.44 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.95 -179.11 0.67 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.404 -1.056 . . . . 0.0 110.081 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -107.04 40.98 1.55 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.364 -0.835 . . . . 0.0 110.197 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 116' ' ' LEU . 77.3 mt -119.04 104.79 10.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.374 -0.829 . . . . 0.0 110.162 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.4 p -67.21 179.15 1.26 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.39 -0.819 . . . . 0.0 110.184 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.01 -36.55 83.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.4 -0.812 . . . . 0.0 110.214 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.51 96.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.399 -0.813 . . . . 0.0 110.136 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.48 -50.54 72.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.322 -0.862 . . . . 0.0 110.143 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.492 HG12 ' CD1' ' A' ' 125' ' ' LEU . 99.0 t -61.54 -29.45 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.335 -0.853 . . . . 0.0 110.011 179.81 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -43.08 95.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.361 -0.837 . . . . 0.0 109.918 179.765 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.67 -34.17 76.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.377 -0.827 . . . . 0.0 109.974 179.817 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.699 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.2 ttm -79.64 -31.33 41.52 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 110.043 179.813 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.492 ' CD1' HG12 ' A' ' 121' ' ' VAL . 6.0 mt -64.27 -42.6 96.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.475 -0.766 . . . . 0.0 110.206 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -62.97 -37.61 87.78 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.409 -0.807 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -80.11 -28.21 39.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.837 . . . . 0.0 110.223 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 124' ' ' MET . 71.6 t -92.22 -64.84 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.374 -0.829 . . . . 0.0 110.098 -179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.8 t -65.07 -43.16 93.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.36 -0.838 . . . . 0.0 110.229 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.6 t0 52.85 36.78 22.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.341 -0.849 . . . . 0.0 110.411 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.2 96.72 0.03 OUTLIER Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -166.46 -56.3 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.432 -1.04 . . . . 0.0 110.241 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 130.43 -72.88 0.47 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -81.45 135.39 35.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.294 -1.121 . . . . 0.0 110.072 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.459 HG23 HG12 ' A' ' 128' ' ' VAL . 55.5 mt -123.51 145.4 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.345 -0.847 . . . . 0.0 110.244 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.487 ' ND2' HD21 ' A' ' 99' ' ' LEU . 4.0 m120 -85.93 121.51 28.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.409 -0.807 . . . . 0.0 110.194 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 22.1 pt -61.24 -21.19 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.386 -0.821 . . . . 0.0 110.488 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -59.48 -48.22 82.5 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.228 -0.92 . . . . 0.0 110.271 -179.902 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.6 -44.18 78.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.388 -0.82 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.807 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.85 -48.19 81.65 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.356 -0.84 . . . . 0.0 110.08 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.02 -28.67 69.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.317 -0.864 . . . . 0.0 110.214 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.17 -36.16 58.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 110.127 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.699 HD13 ' CG ' ' A' ' 124' ' ' MET . 7.5 mt -68.72 -29.97 68.51 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.319 -0.863 . . . . 0.0 110.103 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 88.4 mt -79.76 -29.55 40.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.406 -0.809 . . . . 0.0 110.165 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.365 -0.834 . . . . 0.0 110.188 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.166 0.508 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.87 106.38 3.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.403 -0.811 . . . . 0.0 110.201 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -134.61 -178.24 4.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.446 -0.784 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.433 HD22 ' HE2' ' A' ' 12' ' ' PHE . 9.9 mt -60.09 164.85 3.73 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.348 -0.845 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -109.27 170.07 8.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.431 -0.793 . . . . 0.0 110.093 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -58.06 -41.55 83.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.32 -0.862 . . . . 0.0 110.282 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.92 -46.05 89.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.865 . . . . 0.0 109.988 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.424 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.1 mm100 -67.6 -45.18 76.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.5 -0.75 . . . . 0.0 109.971 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.99 -28.63 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.44 -0.788 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.36 -40.77 77.29 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.851 . . . . 0.0 110.124 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -65.23 -46.82 79.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.332 -0.855 . . . . 0.0 110.187 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CZ ' HD13 ' A' ' 76' ' ' LEU . 19.5 m-85 -62.4 -36.73 83.24 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.363 -0.835 . . . . 0.0 110.054 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -62.05 -40.3 95.29 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.439 -0.788 . . . . 0.0 110.178 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.05 -46.89 79.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.463 -0.773 . . . . 0.0 110.269 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -71.03 -34.92 71.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.358 -0.839 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -70.12 -44.32 69.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.134 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.96 -27.32 66.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 110.196 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 18' ' ' LEU . 11.7 mt -61.09 -46.48 90.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.365 -0.834 . . . . 0.0 110.298 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CD1' HG22 ' A' ' 35' ' ' VAL . 50.0 m-85 -83.68 -27.72 28.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.4 -0.813 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.87 101.89 0.89 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.277 -0.889 . . . . 0.0 109.925 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -118.71 52.68 1.03 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.323 -0.861 . . . . 0.0 110.323 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -128.8 -98.55 0.36 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.294 -0.879 . . . . 0.0 110.151 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -174.43 34.08 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.968 -1.083 . . . . 0.0 110.235 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.06 -75.02 0.16 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.161 -0.962 . . . . 0.0 110.183 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.3 56.65 0.01 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.4 m -141.94 141.92 32.98 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.394 -1.062 . . . . 0.0 110.195 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.2 pt -126.84 154.92 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 110.231 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -79.99 160.1 26.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.402 -0.811 . . . . 0.0 110.216 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -63.05 -28.87 70.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.348 -0.845 . . . . 0.0 110.176 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.3 m -60.74 -28.58 68.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.0 110.222 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.786 ' O ' HG23 ' A' ' 35' ' ' VAL . 35.7 mt-10 -96.59 -15.12 21.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.381 -0.824 . . . . 0.0 110.421 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.64 HD22 ' CD1' ' A' ' 63' ' ' ILE . 61.4 tp -57.4 -51.52 69.07 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.284 -0.885 . . . . 0.0 110.226 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.1 -39.73 79.35 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.325 -0.859 . . . . 0.0 110.243 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 m -68.78 -40.34 79.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.376 -0.827 . . . . 0.0 110.087 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 31' ' ' GLU . 84.4 t -61.59 -32.9 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 109.887 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.9 mtt -73.18 -36.58 66.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.37 -0.831 . . . . 0.0 109.875 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -66.7 -32.83 74.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.467 -0.771 . . . . 0.0 110.198 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.86 -28.9 39.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.336 -0.853 . . . . 0.0 110.16 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.35 -25.66 61.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.356 -0.84 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.87 36.15 0.64 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 mt -123.55 177.84 5.47 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.28 -1.129 . . . . 0.0 110.109 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 p -168.66 64.03 0.58 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.387 -0.821 . . . . 0.0 110.184 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.25 137.42 25.95 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 O-C-N 123.696 1.367 . . . . 0.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.54 168.04 5.05 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.421 -0.799 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.23 -25.96 59.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.255 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -40.1 68.32 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.427 -0.796 . . . . 0.0 109.995 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -69.55 -37.57 77.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.377 -0.827 . . . . 0.0 109.966 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.0 -38.16 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.351 -0.843 . . . . 0.0 109.877 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.96 -43.57 87.51 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.384 -0.823 . . . . 0.0 109.957 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -62.8 -44.59 95.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.351 -0.843 . . . . 0.0 109.982 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.55 -43.99 83.6 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 110.052 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.8 mtt -65.68 -29.02 69.51 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.31 -0.869 . . . . 0.0 109.964 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -66.99 -45.07 78.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.415 -0.803 . . . . 0.0 109.897 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.08 -36.89 85.51 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.388 -0.82 . . . . 0.0 109.879 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.576 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 15.0 mt -77.71 -57.59 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.445 -0.784 . . . . 0.0 109.799 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.61 103.25 0.83 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.41 -0.806 . . . . 0.0 110.185 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 55' ' ' ILE . 83.5 t -93.67 -43.4 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.452 -0.78 . . . . 0.0 110.173 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -120.08 31.13 6.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.356 -0.84 . . . . 0.0 110.316 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.47 -36.36 4.05 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -128.11 146.17 50.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.389 -1.065 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 55' ' ' ILE . 11.6 t-80 -167.88 127.27 1.29 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.384 -0.822 . . . . 0.0 110.153 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -91.08 121.82 33.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.383 -0.823 . . . . 0.0 109.997 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.64 ' CD1' HD22 ' A' ' 32' ' ' LEU . 76.5 mt -79.94 124.4 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.315 -0.866 . . . . 0.0 110.31 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.74 160.17 15.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.433 -0.792 . . . . 0.0 109.949 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.669 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.5 t80 -55.07 -25.55 31.8 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.288 -0.883 . . . . 0.0 110.422 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.2 p -73.75 -52.89 11.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.283 -0.886 . . . . 0.0 110.023 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -66.42 -31.47 72.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.43 -0.794 . . . . 0.0 110.035 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -68.12 -47.18 68.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.359 -0.838 . . . . 0.0 110.083 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.669 HD11 ' CE2' ' A' ' 65' ' ' PHE . 56.7 mt -60.53 -37.19 80.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.272 -0.892 . . . . 0.0 110.053 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.41 75.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.406 -0.809 . . . . 0.0 110.074 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.08 -36.34 83.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.349 -0.844 . . . . 0.0 109.987 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.79 ' HE3' HD11 ' A' ' 76' ' ' LEU . 94.0 mmm -69.69 -37.68 76.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.319 -0.863 . . . . 0.0 109.901 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.2 p -61.96 -38.6 89.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.397 -0.815 . . . . 0.0 110.076 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -67.1 -39.71 86.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.356 -0.84 . . . . 0.0 110.0 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -80.3 -33.02 37.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.388 -0.82 . . . . 0.0 110.203 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.79 HD11 ' HE3' ' A' ' 72' ' ' MET . 6.5 mt -95.53 47.89 1.13 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.322 -0.861 . . . . 0.0 110.184 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.78 148.37 36.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.425 -0.797 . . . . 0.0 110.137 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 p -167.21 50.58 0.07 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.355 -0.841 . . . . 0.0 110.262 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -154.02 125.88 7.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 0.0 110.22 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.85 97.66 0.46 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.4 -0.812 . . . . 0.0 110.19 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.9 m -72.76 -44.96 60.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.334 -0.854 . . . . 0.0 110.148 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.74 -55.32 31.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.354 -0.841 . . . . 0.0 110.25 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -34.9 68.87 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.384 -0.822 . . . . 0.0 110.235 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -62.28 -39.92 94.53 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 110.121 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.412 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -66.99 -44.44 80.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.364 -0.835 . . . . 0.0 110.052 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.54 -33.08 74.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.443 -0.785 . . . . 0.0 110.159 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.37 -46.01 74.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.424 -0.797 . . . . 0.0 110.121 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.89 83.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.447 -0.783 . . . . 0.0 110.179 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.743 ' HB3' HD13 ' A' ' 137' ' ' ILE . 15.9 m-85 -61.55 -28.93 69.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.433 -0.792 . . . . 0.0 110.165 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -42.06 75.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.355 -0.841 . . . . 0.0 110.047 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.39 -43.99 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.393 -0.817 . . . . 0.0 109.956 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -66.06 -28.81 69.12 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.384 -0.822 . . . . 0.0 110.146 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -86.04 97.75 10.46 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.324 -0.86 . . . . 0.0 110.153 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -70.21 -26.69 63.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.457 -0.777 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -59.73 -64.96 0.76 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.813 . . . . 0.0 110.226 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.1 -29.67 2.61 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.9 -52.21 15.6 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.356 -1.085 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.0 47.02 0.1 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.417 ' C ' HG23 ' A' ' 100' ' ' ILE . 51.7 mt -116.21 131.75 56.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.373 -1.075 . . . . 0.0 110.129 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.417 HG23 ' C ' ' A' ' 99' ' ' LEU . 42.0 pt -146.2 160.26 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 0.0 110.226 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.7 m -79.8 160.18 26.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.363 -0.836 . . . . 0.0 110.029 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.47 49.65 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.287 -0.883 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.29 -51.64 62.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.368 -0.832 . . . . 0.0 109.985 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.779 ' O ' HG23 ' A' ' 108' ' ' VAL . 38.7 mt-10 -63.89 -31.02 72.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.854 . . . . 0.0 110.008 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.828 HD21 ' CE2' ' A' ' 140' ' ' PHE . 24.9 tp -68.48 -40.75 80.86 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.829 . . . . 0.0 110.032 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -67.23 -39.34 86.23 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 0.0 110.069 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -66.4 -40.36 89.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.409 -0.807 . . . . 0.0 110.228 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 104' ' ' GLU . 90.3 t -64.59 -39.33 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.412 -0.805 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.96 -33.26 75.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.284 -0.885 . . . . 0.0 110.108 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 m -76.9 -40.96 45.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.394 -0.816 . . . . 0.0 110.194 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.0 m -61.81 -44.23 97.27 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.388 -0.82 . . . . 0.0 110.072 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.412 HD13 ' CD2' ' A' ' 85' ' ' LEU . 82.1 mt -60.8 -26.64 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.356 -0.84 . . . . 0.0 110.108 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.57 28.17 25.14 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 134.58 47.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.408 -1.054 . . . . 0.0 110.069 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.4 tpmp? -77.11 63.97 2.47 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.34 -0.85 . . . . 0.0 110.202 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.81 100.86 5.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.388 -0.82 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.0 p -63.05 -167.25 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.389 -0.819 . . . . 0.0 110.169 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.68 -31.58 65.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.851 . . . . 0.0 110.142 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.98 97.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.367 -0.833 . . . . 0.0 110.01 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -62.56 -53.22 57.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 110.075 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.439 HG12 HD12 ' A' ' 125' ' ' LEU . 61.3 t -59.18 -28.68 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.849 . . . . 0.0 110.003 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.09 -48.5 65.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.382 -0.824 . . . . 0.0 109.994 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.62 -33.58 75.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.628 ' HG2' HD13 ' A' ' 143' ' ' LEU . 5.5 ttp -76.42 -31.23 57.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 109.976 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.439 HD12 HG12 ' A' ' 121' ' ' VAL . 7.4 mt -69.83 -33.59 72.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.406 -0.809 . . . . 0.0 110.078 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -65.23 -39.7 93.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.84 . . . . 0.0 110.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.08 -27.3 39.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.322 -0.861 . . . . 0.0 110.383 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.644 HG11 ' HD1' ' A' ' 140' ' ' PHE . 59.5 t -91.07 -57.65 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.247 -0.908 . . . . 0.0 110.212 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.5 m -56.9 130.64 46.74 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.381 -0.824 . . . . 0.0 110.323 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.0 -32.49 7.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.846 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 136.07 54.15 0.06 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.8 t -132.2 -67.92 0.64 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.325 -1.103 . . . . 0.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.68 -49.49 0.47 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.616 -1.393 . . . . 0.0 109.616 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -99.28 129.94 45.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.307 -1.114 . . . . 0.0 110.213 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 84.6 mt -100.55 154.43 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.45 135.38 33.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.341 -0.85 . . . . 0.0 110.2 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 89' ' ' PHE . 1.7 pt -73.87 -17.96 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.371 -0.831 . . . . 0.0 110.477 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.94 -54.12 49.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.908 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -68.66 -42.01 78.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.38 -0.825 . . . . 0.0 110.205 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.828 ' CE2' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.63 -40.98 93.12 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.37 -0.831 . . . . 0.0 110.056 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.45 87.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.186 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.65 -39.66 76.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.37 -0.831 . . . . 0.0 110.198 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.628 HD13 ' HG2' ' A' ' 124' ' ' MET . 3.2 mt -60.54 -34.69 74.5 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.343 -0.848 . . . . 0.0 110.234 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.71 -33.34 41.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.334 -0.854 . . . . 0.0 110.335 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.5 p -102.61 -73.7 0.65 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.395 -0.815 . . . . 0.0 110.397 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.265 -179.875 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.148 0.499 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -65.4 167.82 8.07 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.312 -0.867 . . . . 0.0 110.126 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -112.0 -173.47 2.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.381 -0.824 . . . . 0.0 110.212 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.485 HD22 ' HE2' ' A' ' 12' ' ' PHE . 18.7 mt -60.15 139.87 57.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.383 -0.823 . . . . 0.0 110.321 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 p -84.89 -179.94 7.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.379 -0.826 . . . . 0.0 110.116 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.09 -35.45 78.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.347 -0.845 . . . . 0.0 110.138 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.87 -39.95 79.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.449 -0.782 . . . . 0.0 110.016 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 18.2 mm-40 -69.41 -43.46 73.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.31 -32.4 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.326 -0.859 . . . . 0.0 110.092 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.48 70.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.391 -0.818 . . . . 0.0 110.095 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -68.52 -48.53 64.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.388 -0.82 . . . . 0.0 110.127 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 25.8 m-85 -61.27 -38.54 87.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 110.069 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 9.2 ttmt -61.8 -41.7 98.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.421 -0.799 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.9 -49.26 78.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.337 -0.852 . . . . 0.0 110.319 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.58 -27.2 63.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.403 -0.811 . . . . 0.0 110.259 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.9 t80 -76.16 -41.88 48.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.268 -0.895 . . . . 0.0 110.122 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.07 -28.09 65.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.327 -0.858 . . . . 0.0 110.129 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.43 -31.54 72.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.349 -0.844 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -107.4 28.29 8.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.416 -0.803 . . . . 0.0 110.245 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -126.93 71.87 1.33 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.348 -0.845 . . . . 0.0 110.165 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -103.37 67.42 0.92 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.371 -0.83 . . . . 0.0 110.197 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.41 -75.23 0.39 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.33 -0.856 . . . . 0.0 110.282 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -164.95 -59.9 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.336 -0.853 . . . . 0.0 110.268 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -88.53 -172.46 3.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.381 -0.825 . . . . 0.0 110.244 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.59 82.79 0.47 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -154.64 144.81 21.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.402 -1.058 . . . . 0.0 110.146 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.6 pt -125.84 159.98 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 0.0 110.239 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.4 m -84.72 160.07 20.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.44 -0.788 . . . . 0.0 110.248 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -38.05 82.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.434 -0.791 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.99 -28.04 62.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.414 -0.804 . . . . 0.0 110.278 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.812 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.2 mt-10 -90.71 -19.17 23.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.323 -0.861 . . . . 0.0 110.266 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD22 HD13 ' A' ' 55' ' ' ILE . 59.7 tp -54.68 -51.16 66.38 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -0.872 . . . . 0.0 110.454 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.28 -41.46 88.95 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.337 -0.852 . . . . 0.0 110.22 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.3 m -66.93 -38.29 85.91 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.353 -0.842 . . . . 0.0 110.055 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.1 t -62.39 -38.59 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.411 -0.805 . . . . 0.0 109.927 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.0 mtt -68.21 -34.56 76.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.406 -0.809 . . . . 0.0 109.861 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -66.61 -35.02 79.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.39 -0.819 . . . . 0.0 110.183 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.26 -34.62 48.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.837 . . . . 0.0 110.185 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.19 -24.29 67.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.307 -0.87 . . . . 0.0 110.221 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.98 32.0 1.63 Allowed Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.8 mt -121.01 -178.59 3.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.368 -1.077 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -168.89 68.66 0.7 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.284 -0.885 . . . . 0.0 110.182 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.63 137.52 27.7 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.756 1.398 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.83 165.79 4.99 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.33 -0.856 . . . . 0.0 110.11 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -56.25 -28.27 57.93 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.04 -41.46 74.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 0.0 110.012 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -35.17 77.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.36 -0.837 . . . . 0.0 110.093 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.6 -41.4 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.373 -0.829 . . . . 0.0 110.016 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -61.76 -40.07 93.85 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.351 -0.843 . . . . 0.0 110.054 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -62.78 -49.07 76.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.297 -0.877 . . . . 0.0 110.094 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.39 -38.98 93.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.357 -0.84 . . . . 0.0 110.044 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.5 mtt -69.15 -29.35 67.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.434 -0.791 . . . . 0.0 109.999 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -68.05 -42.16 80.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.429 -0.794 . . . . 0.0 110.084 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -70.27 -32.17 69.86 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.413 -0.804 . . . . 0.0 110.052 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.504 ' O ' HG23 ' A' ' 57' ' ' VAL . 19.7 mt -86.32 -59.05 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.396 -0.815 . . . . 0.0 109.964 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -59.89 111.52 1.5 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.315 -0.865 . . . . 0.0 110.178 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 55' ' ' ILE . 73.3 t -120.42 -48.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.416 -0.802 . . . . 0.0 110.266 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -102.61 -46.45 4.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.382 -0.824 . . . . 0.0 110.612 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.97 -65.52 0.01 OUTLIER Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -119.17 -38.55 3.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.328 -1.101 . . . . 0.0 110.546 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.1 t60 56.68 108.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.435 -0.79 . . . . 0.0 110.515 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -79.71 125.97 30.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.303 -0.873 . . . . 0.0 110.026 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.403 HD11 HD13 ' A' ' 55' ' ' ILE . 78.6 mt -85.18 135.82 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.375 -0.828 . . . . 0.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -96.25 160.2 14.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.36 -0.837 . . . . 0.0 110.011 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.828 ' CE2' HD11 ' A' ' 69' ' ' LEU . 15.8 t80 -57.72 -36.65 72.3 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.895 . . . . 0.0 110.279 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -62.78 -53.06 60.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.346 -0.846 . . . . 0.0 110.097 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.53 -29.81 70.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.413 -0.804 . . . . 0.0 110.046 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -69.22 -49.51 55.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.406 -0.809 . . . . 0.0 110.086 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.828 HD11 ' CE2' ' A' ' 65' ' ' PHE . 44.9 mt -60.26 -32.2 70.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.282 -0.886 . . . . 0.0 110.057 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.14 -49.75 47.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.402 -0.811 . . . . 0.0 110.055 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.57 -36.74 79.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.324 -0.86 . . . . 0.0 110.104 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.724 ' O ' HD12 ' A' ' 76' ' ' LEU . 92.5 mmm -69.05 -42.16 76.68 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.452 -0.78 . . . . 0.0 109.927 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -31.95 69.68 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.376 -0.828 . . . . 0.0 109.935 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.71 -30.93 41.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.428 -0.795 . . . . 0.0 109.618 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -83.16 -34.01 26.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.45 -0.781 . . . . 0.0 109.78 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 72' ' ' MET . 2.2 mt -95.19 -33.39 12.64 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.418 -0.801 . . . . 0.0 109.879 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 41.36 -158.81 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.706 -0.621 . . . . 0.0 111.214 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -168.38 -52.27 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.35 -0.844 . . . . 0.0 110.106 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -156.64 -170.31 3.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.311 -0.868 . . . . 0.0 110.152 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -167.91 122.12 0.95 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.282 -0.886 . . . . 0.0 110.284 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.0 m -76.19 -28.17 57.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.307 -0.871 . . . . 0.0 110.177 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -61.07 -54.77 40.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.32 -0.863 . . . . 0.0 110.2 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.07 -33.41 64.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.384 -0.822 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -44.53 95.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.402 -0.811 . . . . 0.0 110.019 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -46.96 83.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 110.142 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.15 -33.71 72.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.452 -0.78 . . . . 0.0 110.234 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -68.66 -49.06 62.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.36 -0.838 . . . . 0.0 110.105 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.69 -40.93 98.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.339 -0.851 . . . . 0.0 110.211 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.533 ' HB3' HD13 ' A' ' 137' ' ' ILE . 8.0 m-85 -63.97 -32.86 74.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.358 -0.839 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -67.71 -44.22 78.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.307 -0.87 . . . . 0.0 110.265 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.2 t -60.97 -40.74 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.272 -0.892 . . . . 0.0 110.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.406 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.1 m-85 -67.56 -27.34 66.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.294 -0.879 . . . . 0.0 110.159 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.46 142.86 42.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.399 -0.813 . . . . 0.0 110.239 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -108.88 41.17 1.65 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.32 -0.862 . . . . 0.0 110.259 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -158.3 -43.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.825 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.3 29.19 6.45 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.601 ' OD2' HD12 ' A' ' 99' ' ' LEU . 48.7 p-10 -113.61 -17.15 12.23 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.344 -1.091 . . . . 0.0 110.518 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.77 47.94 2.83 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.601 HD12 ' OD2' ' A' ' 97' ' ' ASP . 85.7 mt -139.02 110.54 7.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.388 -1.066 . . . . 0.0 110.13 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.9 pt -125.97 160.36 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.377 -0.827 . . . . 0.0 110.199 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -79.8 160.21 26.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.164 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.34 -36.13 60.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.34 -0.85 . . . . 0.0 110.401 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.88 77.73 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.284 -0.885 . . . . 0.0 110.105 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.9 mt-10 -62.71 -35.29 79.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.359 -0.838 . . . . 0.0 109.951 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.544 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -62.25 -39.87 94.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.462 -0.774 . . . . 0.0 110.037 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -70.96 -35.83 72.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.349 -0.844 . . . . 0.0 110.161 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.44 -29.09 65.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.385 -0.822 . . . . 0.0 110.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 104' ' ' GLU . 60.0 t -76.38 -41.82 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.296 -0.877 . . . . 0.0 109.95 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 105' ' ' LEU . 5.3 mt -63.74 -36.71 84.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.326 -0.859 . . . . 0.0 110.15 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.4 m -77.66 -28.8 51.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.373 -0.829 . . . . 0.0 110.192 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -74.39 -42.18 59.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.351 -0.843 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.495 HD11 HG12 ' A' ' 108' ' ' VAL . 61.5 mt -62.39 -27.0 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.398 -0.814 . . . . 0.0 110.158 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.29 33.07 23.94 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.33 164.86 25.98 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.364 -1.08 . . . . 0.0 110.16 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.09 62.26 1.27 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.386 -0.821 . . . . 0.0 110.2 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.443 HD11 HD22 ' A' ' 144' ' ' LEU . 33.9 mt -125.57 112.26 15.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.851 . . . . 0.0 110.197 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 78.1 p -62.98 -174.17 0.07 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.378 -0.827 . . . . 0.0 110.164 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -77.74 -30.28 51.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.318 -0.864 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.41 96.42 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.419 -0.801 . . . . 0.0 110.2 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -61.41 -49.36 77.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.348 -0.845 . . . . 0.0 110.218 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.527 HG12 HD12 ' A' ' 125' ' ' LEU . 79.3 t -62.13 -27.93 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.339 -0.851 . . . . 0.0 110.069 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.84 -43.41 83.75 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.356 -0.84 . . . . 0.0 110.013 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -32.52 72.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.422 -0.799 . . . . 0.0 110.082 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.493 ' O ' HG23 ' A' ' 128' ' ' VAL . 11.2 mtm -79.07 -26.68 43.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.342 -0.849 . . . . 0.0 110.26 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.527 HD12 HG12 ' A' ' 121' ' ' VAL . 3.6 mt -71.61 -44.88 63.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.279 -0.888 . . . . 0.0 110.198 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -65.22 -31.1 72.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.346 -0.846 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.86 -28.67 39.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 0.0 110.367 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.773 HG12 HG23 ' A' ' 135' ' ' ILE . 59.9 t -96.18 -54.71 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.336 -0.852 . . . . 0.0 110.194 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.0 t -63.47 140.16 58.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.295 -0.878 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -115.07 36.47 3.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.352 -0.842 . . . . 0.0 110.195 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.47 36.91 78.19 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.9 m -118.4 -35.57 3.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -1.055 . . . . 0.0 110.188 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.06 -38.01 3.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -94.73 135.85 35.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.413 -1.051 . . . . 0.0 110.213 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.773 HG23 HG12 ' A' ' 128' ' ' VAL . 87.3 mt -123.35 144.1 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.391 -0.818 . . . . 0.0 110.149 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -82.98 126.01 32.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.373 -0.83 . . . . 0.0 110.165 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.533 HD13 ' HB3' ' A' ' 89' ' ' PHE . 18.1 pt -63.95 -21.77 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.385 -0.822 . . . . 0.0 110.354 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -61.98 -46.7 88.12 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.308 -0.87 . . . . 0.0 110.19 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -61.82 -52.39 64.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.389 -0.819 . . . . 0.0 110.203 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.544 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.61 -39.75 94.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.355 -0.84 . . . . 0.0 110.055 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.8 -33.86 76.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.42 -0.8 . . . . 0.0 110.185 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.69 62.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.384 -0.822 . . . . 0.0 110.214 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.34 -36.44 76.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.338 -0.851 . . . . 0.0 110.145 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.443 HD22 HD11 ' A' ' 116' ' ' LEU . 84.3 mt -78.24 -28.05 47.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.198 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.9 m -67.49 143.67 56.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.187 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 21.9 pttt . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.189 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.227 0.537 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -152.01 151.7 31.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.33 -0.856 . . . . 0.0 110.205 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 52.56 -170.79 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.354 -0.841 . . . . 0.0 110.347 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' O ' HD11 ' A' ' 9' ' ' ILE . 14.5 mt -54.51 121.63 8.79 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.288 -0.882 . . . . 0.0 110.441 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p -69.69 174.46 5.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.301 -0.875 . . . . 0.0 110.149 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.54 -32.76 72.84 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.326 -0.859 . . . . 0.0 110.242 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -64.66 -52.11 59.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 110.092 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.485 ' OE1' HD23 ' A' ' 4' ' ' LEU . 56.3 mt-30 -62.8 -42.08 99.56 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.32 -0.862 . . . . 0.0 110.13 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.646 HD11 ' O ' ' A' ' 4' ' ' LEU . 71.9 mt -66.88 -36.28 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.317 -0.864 . . . . 0.0 109.991 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.22 82.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.351 -0.843 . . . . 0.0 110.091 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -47.87 66.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.397 -0.814 . . . . 0.0 110.158 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.528 ' HE2' HD22 ' A' ' 4' ' ' LEU . 24.5 m-85 -62.74 -38.28 89.9 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.286 -0.884 . . . . 0.0 110.003 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 2.1 ttmt -61.68 -39.63 92.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.379 -0.825 . . . . 0.0 110.149 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.98 -52.25 60.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.286 -0.884 . . . . 0.0 110.151 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.568 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.89 -35.38 79.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 0.0 110.142 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.659 ' CE1' HG23 ' A' ' 27' ' ' ILE . 9.7 t80 -71.3 -39.54 71.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.797 . . . . 0.0 110.091 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.65 -29.38 69.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 110.118 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 15' ' ' ALA . 20.3 mt -62.15 -38.0 87.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.464 -0.773 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -101.72 24.39 9.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 0.0 110.343 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -108.55 123.09 48.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 110.11 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -79.33 -92.74 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.4 -0.812 . . . . 0.0 110.4 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -173.07 43.52 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.949 -1.094 . . . . 0.0 110.203 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -101.97 -63.76 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.879 . . . . 0.0 110.365 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -150.57 27.52 0.73 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.277 -0.889 . . . . 0.0 110.173 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.02 51.42 45.38 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.5 p -139.16 154.63 48.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -1.061 . . . . 0.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.659 HG23 ' CE1' ' A' ' 16' ' ' PHE . 40.8 pt -120.42 158.5 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.368 -0.833 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -80.76 158.96 25.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.383 -0.823 . . . . 0.0 110.269 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.39 -39.55 93.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.356 -0.84 . . . . 0.0 110.217 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.6 p -55.32 -27.2 45.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.364 -0.835 . . . . 0.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.849 ' O ' HG23 ' A' ' 35' ' ' VAL . 45.0 mt-10 -91.4 -15.65 28.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 110.44 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.3 tp -55.15 -55.9 25.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.224 -0.922 . . . . 0.0 110.492 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.84 76.38 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.353 -0.842 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 m -66.87 -40.6 87.88 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.432 -0.792 . . . . 0.0 109.917 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.2 t -58.33 -41.14 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.272 -0.892 . . . . 0.0 109.587 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mtt -69.78 -28.02 65.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.407 -0.808 . . . . 0.0 109.518 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 38' ' ' SER . 0.3 OUTLIER -65.96 -38.51 88.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.451 -0.781 . . . . 0.0 109.905 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 37' ' ' ARG . 15.3 m -80.15 -32.53 38.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.379 -0.825 . . . . 0.0 110.333 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.45 -26.07 68.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.413 -0.804 . . . . 0.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.06 32.65 2.16 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 mt -116.11 176.23 5.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -1.084 . . . . 0.0 110.177 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -166.34 68.79 1.09 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.406 -0.809 . . . . 0.0 110.078 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.64 137.41 27.48 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 O-C-N 123.77 1.405 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.2 m -62.09 171.06 1.9 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.401 -0.812 . . . . 0.0 110.082 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.0 -28.56 67.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.882 . . . . 0.0 110.133 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.51 -41.52 72.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 0.0 110.028 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.49 -38.62 87.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.457 -0.777 . . . . 0.0 110.142 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 44' ' ' SER . 60.7 t -66.33 -40.18 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.338 -0.851 . . . . 0.0 109.926 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -62.65 -38.32 89.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.4 -0.813 . . . . 0.0 110.144 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -63.28 -47.78 80.91 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.431 -0.793 . . . . 0.0 110.066 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.53 -41.66 96.23 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.386 -0.822 . . . . 0.0 110.078 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.0 mtt -69.25 -29.44 67.36 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.453 -0.779 . . . . 0.0 110.057 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.68 -38.09 80.08 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.115 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.86 -29.14 39.97 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.294 -0.879 . . . . 0.0 110.056 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 57' ' ' VAL . 30.1 mt -89.29 -63.6 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.407 -0.808 . . . . 0.0 109.962 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -58.55 92.18 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.38 -0.825 . . . . 0.0 110.341 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 55' ' ' ILE . 78.5 t -97.64 -32.89 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.443 -0.786 . . . . 0.0 110.138 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -127.43 -150.89 0.46 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.365 -0.834 . . . . 0.0 110.256 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.1 -46.42 85.2 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -147.94 133.18 18.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.332 -1.099 . . . . 0.0 110.347 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 55' ' ' ILE . 15.4 t-80 -119.72 128.1 53.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.375 -0.828 . . . . 0.0 110.151 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.54 117.74 29.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.352 -0.843 . . . . 0.0 110.115 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.1 mt -80.18 128.8 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.326 -0.858 . . . . 0.0 110.23 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.49 160.21 16.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.38 -0.825 . . . . 0.0 109.996 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.686 ' CE2' HD11 ' A' ' 69' ' ' LEU . 15.4 t80 -59.07 -30.36 68.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.297 -0.877 . . . . 0.0 110.3 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t -67.34 -54.36 21.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 110.134 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -63.14 -33.91 76.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.384 -0.823 . . . . 0.0 110.125 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.49 -49.71 72.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.133 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.686 HD11 ' CE2' ' A' ' 65' ' ' PHE . 44.3 mt -60.6 -33.02 72.12 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.417 -0.802 . . . . 0.0 110.242 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.72 -48.09 49.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.404 -0.81 . . . . 0.0 110.129 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.49 HD13 HD11 ' A' ' 55' ' ' ILE . 30.8 mt -62.13 -41.05 97.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.409 -0.807 . . . . 0.0 110.036 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.8 mmm -65.79 -34.47 78.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.438 -0.789 . . . . 0.0 110.091 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t -63.8 -41.18 97.96 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.419 -0.801 . . . . 0.0 110.014 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -69.48 -32.12 70.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.085 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -85.9 -28.93 24.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.355 -0.841 . . . . 0.0 110.244 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.479 HD11 ' CZ ' ' A' ' 12' ' ' PHE . 15.2 mt -63.09 -34.19 77.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.377 -0.827 . . . . 0.0 110.177 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -89.19 178.01 6.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.419 -0.8 . . . . 0.0 110.161 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 t -91.89 172.44 8.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.295 -0.878 . . . . 0.0 110.181 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -106.58 42.61 1.25 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.396 -0.815 . . . . 0.0 110.182 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -103.96 -7.44 20.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.292 -0.88 . . . . 0.0 110.514 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.6 p -58.37 -23.02 55.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.185 -0.947 . . . . 0.0 110.47 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -58.28 -59.1 5.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.276 -0.89 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -58.05 -33.06 68.61 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -0.798 . . . . 0.0 110.223 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.95 -43.02 80.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.132 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.417 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -63.87 -42.65 97.47 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.407 -0.808 . . . . 0.0 110.066 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.29 -33.6 74.96 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.391 -0.818 . . . . 0.0 109.988 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -49.24 71.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.446 -0.784 . . . . 0.0 110.199 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.09 99.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.39 -0.819 . . . . 0.0 110.173 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HB3' HD13 ' A' ' 137' ' ' ILE . 11.4 m-85 -64.32 -33.76 76.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.315 -0.866 . . . . 0.0 110.109 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -43.3 95.35 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.308 -0.87 . . . . 0.0 109.965 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.8 t -64.15 -37.93 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.431 -0.793 . . . . 0.0 110.002 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -79.97 -14.91 58.23 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.392 -0.817 . . . . 0.0 110.484 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -57.33 129.92 43.96 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.247 -0.908 . . . . 0.0 110.369 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -109.12 26.23 10.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.294 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -134.32 -59.85 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.337 -0.852 . . . . 0.0 110.106 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.89 -28.76 1.14 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -99.74 -38.45 8.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.415 -1.05 . . . . 0.0 110.323 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.74 67.0 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.6 mt -131.93 108.33 9.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.324 -1.103 . . . . 0.0 110.108 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.5 pt -128.62 160.16 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.33 -0.856 . . . . 0.0 110.184 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.1 t -79.89 160.18 26.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.367 -0.833 . . . . 0.0 110.119 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.72 -26.7 14.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.302 -0.874 . . . . 0.0 110.569 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -50.78 60.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.721 ' O ' HG23 ' A' ' 108' ' ' VAL . 21.5 mt-10 -65.61 -33.33 75.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 110.052 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.793 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.2 tp -68.86 -32.67 72.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.0 110.172 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -73.23 -42.2 62.87 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 110.166 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -66.44 -29.29 69.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.427 -0.796 . . . . 0.0 110.215 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.6 t -79.19 -43.43 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.328 -0.857 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 112' ' ' ILE . 39.4 mt -62.01 -29.89 70.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.35 -0.844 . . . . 0.0 110.183 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.8 m -79.2 -29.37 42.84 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.332 -0.855 . . . . 0.0 110.133 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 m -77.48 -37.48 51.17 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.35 -0.844 . . . . 0.0 110.144 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 109' ' ' LEU . 62.7 mt -61.05 -27.1 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.36 -0.837 . . . . 0.0 110.174 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.62 28.87 25.65 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.79 -12.56 61.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.345 -1.091 . . . . 0.0 110.349 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 tttt 54.94 47.47 22.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.194 -0.941 . . . . 0.0 110.402 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt -99.66 115.51 29.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.397 -0.814 . . . . 0.0 110.227 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -61.21 162.81 7.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 110.163 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.36 -33.35 73.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.289 -0.882 . . . . 0.0 110.203 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.24 86.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.317 -0.864 . . . . 0.0 110.177 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.44 -52.33 47.46 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.405 -0.81 . . . . 0.0 110.108 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 125' ' ' LEU . 57.4 t -61.45 -29.23 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.359 -0.838 . . . . 0.0 109.95 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -65.93 -43.23 88.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.382 -0.824 . . . . 0.0 109.956 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.2 -31.84 69.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.345 -0.847 . . . . 0.0 110.067 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.448 ' HG2' HD13 ' A' ' 143' ' ' LEU . 1.1 ttp -79.98 -29.69 39.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.44 -0.787 . . . . 0.0 110.144 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 125' ' ' LEU . 12.8 mt -72.82 -33.52 66.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.338 -0.851 . . . . 0.0 110.235 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -66.24 -37.34 85.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -0.842 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -80.2 -29.82 38.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.343 -0.848 . . . . 0.0 110.324 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.588 HG12 HG23 ' A' ' 135' ' ' ILE . 62.6 t -90.4 -57.61 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.401 -0.812 . . . . 0.0 110.23 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 t -59.98 142.62 53.52 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.346 -0.847 . . . . 0.0 110.236 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -115.26 -44.41 3.0 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.95 -24.08 0.71 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.1 m -56.66 -27.33 58.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.298 -1.119 . . . . 0.0 110.458 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.33 31.12 6.63 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -154.32 129.35 9.55 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.382 -1.069 . . . . 0.0 110.173 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.588 HG23 HG12 ' A' ' 128' ' ' VAL . 86.1 mt -112.84 147.36 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.09 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -93.91 122.48 36.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.437 -0.789 . . . . 0.0 110.188 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 89' ' ' PHE . 1.3 pp -61.18 -21.43 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.327 -0.858 . . . . 0.0 110.362 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -60.15 -54.66 43.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.33 -0.856 . . . . 0.0 110.179 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.75 -36.04 82.56 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.84 . . . . 0.0 110.142 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.793 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -70.47 -40.09 73.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.387 -0.82 . . . . 0.0 109.998 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.63 -33.34 75.4 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.341 -0.849 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.53 -32.18 42.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.324 -0.86 . . . . 0.0 110.142 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.448 HD13 ' HG2' ' A' ' 124' ' ' MET . 2.5 mt -65.38 -35.33 80.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.328 -0.858 . . . . 0.0 110.231 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.416 HD11 HD21 ' A' ' 109' ' ' LEU . 90.2 mt -79.37 -30.92 42.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.287 -0.883 . . . . 0.0 110.229 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -85.98 62.4 7.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.321 -0.862 . . . . 0.0 110.254 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.235 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.193 0.521 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.74 43.74 31.02 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.31 -0.869 . . . . 0.0 110.454 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -152.03 166.65 30.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.356 -0.84 . . . . 0.0 110.24 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.541 HD22 ' HE2' ' A' ' 12' ' ' PHE . 24.8 mt -64.05 132.75 51.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 p -85.05 177.76 7.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -0.849 . . . . 0.0 110.119 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.01 -37.55 85.3 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.357 -0.839 . . . . 0.0 110.19 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.34 -43.34 91.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.377 -0.827 . . . . 0.0 110.056 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 25.4 mm-40 -67.56 -45.02 76.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.43 -0.794 . . . . 0.0 110.132 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.9 mt -65.64 -28.51 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.323 -0.86 . . . . 0.0 109.948 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.27 -37.04 71.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.28 -0.888 . . . . 0.0 110.076 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -66.78 -47.69 71.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.321 -0.862 . . . . 0.0 110.097 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.541 ' HE2' HD22 ' A' ' 4' ' ' LEU . 26.3 m-85 -61.82 -39.14 90.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.311 -0.868 . . . . 0.0 110.054 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -60.25 -40.45 90.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 0.0 110.146 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.11 -53.61 53.0 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.117 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.28 -30.51 70.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.38 -0.825 . . . . 0.0 110.151 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.673 ' CE1' HG23 ' A' ' 27' ' ' ILE . 14.2 t80 -74.25 -39.6 62.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.353 -0.842 . . . . 0.0 110.273 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.95 66.58 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.33 -0.856 . . . . 0.0 110.147 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 15' ' ' ALA . 33.1 mt -63.66 -39.72 95.04 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.371 -0.831 . . . . 0.0 110.283 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CZ ' HG22 ' A' ' 34' ' ' THR . 92.9 m-85 -102.23 25.43 8.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.332 -0.855 . . . . 0.0 110.131 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -133.09 82.49 2.0 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.336 -0.852 . . . . 0.0 110.163 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -120.01 -8.86 9.72 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.395 -0.815 . . . . 0.0 110.664 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -127.88 28.11 5.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.186 -0.946 . . . . 0.0 110.391 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.8 OUTLIER -151.18 25.79 0.71 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m120 55.44 -86.62 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.382 -0.824 . . . . 0.0 110.571 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 23' ' ' ASN . . . -129.56 54.77 0.78 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -157.76 142.6 16.58 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.402 -1.057 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.673 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.5 pt -120.51 157.24 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.376 -0.828 . . . . 0.0 110.256 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.09 159.07 22.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.425 -0.797 . . . . 0.0 110.193 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -60.84 -27.5 68.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -0.805 . . . . 0.0 110.13 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 p -63.54 -30.41 71.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.361 -0.837 . . . . 0.0 110.185 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.822 ' O ' HG23 ' A' ' 35' ' ' VAL . 44.8 mt-10 -94.02 -14.83 25.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 0.0 110.51 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.535 HD22 ' CD1' ' A' ' 63' ' ' ILE . 65.5 tp -53.26 -57.87 9.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.207 -0.933 . . . . 0.0 110.459 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.805 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -58.03 -35.92 71.99 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.265 -0.897 . . . . 0.0 110.218 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.492 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 40.9 m -67.57 -36.02 80.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.315 -0.866 . . . . 0.0 110.034 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.1 t -62.3 -44.93 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.439 -0.788 . . . . 0.0 109.805 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.5 mtt -64.01 -34.96 79.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.44 -0.787 . . . . 0.0 109.9 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -61.31 -40.55 94.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.395 -0.816 . . . . 0.0 110.053 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 m -75.97 -33.84 59.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.415 -0.803 . . . . 0.0 110.078 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.52 HD13 ' CE ' ' A' ' 72' ' ' MET . 16.9 mt -61.9 -23.31 66.24 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.394 -0.817 . . . . 0.0 110.224 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.48 34.91 0.68 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.5 mt -127.53 178.11 6.31 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.257 -1.143 . . . . 0.0 110.117 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 t -167.35 67.19 0.86 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.391 -0.818 . . . . 0.0 110.207 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HB2' ' CB ' ' A' ' 47' ' ' GLU . 47.4 Cg_endo -75.22 137.33 21.1 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 O-C-N 123.725 1.382 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.3 173.46 1.17 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.45 -0.781 . . . . 0.0 110.013 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.04 -28.73 66.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -0.861 . . . . 0.0 110.191 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.4 -43.35 77.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.453 -0.779 . . . . 0.0 109.983 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' CB ' ' HB2' ' A' ' 43' ' ' PRO . 5.5 mm-40 -64.8 -42.04 95.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -0.839 . . . . 0.0 109.989 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.805 HG13 ' HB2' ' A' ' 33' ' ' ALA . 67.0 t -60.89 -39.15 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.345 -0.847 . . . . 0.0 109.867 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -62.47 -40.72 97.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.421 -0.799 . . . . 0.0 109.908 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.17 -47.01 88.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.392 -0.817 . . . . 0.0 110.044 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 55' ' ' ILE . 5.9 mt -60.77 -46.48 90.3 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.434 -0.791 . . . . 0.0 109.884 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 mtt -66.17 -28.65 68.93 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -0.839 . . . . 0.0 109.84 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -65.55 -37.6 87.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.311 -0.868 . . . . 0.0 109.714 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -74.14 -38.28 63.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.452 -0.78 . . . . 0.0 109.896 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.796 HD12 ' O ' ' A' ' 51' ' ' LEU . 2.1 mt -82.15 -63.79 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.404 -0.81 . . . . 0.0 109.858 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -64.59 94.32 0.12 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.382 -0.824 . . . . 0.0 110.236 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.12 -56.13 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 0.0 110.021 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.62 -33.14 4.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.394 -0.816 . . . . 0.0 110.22 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.66 -31.09 0.24 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -109.81 115.24 29.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.424 -1.045 . . . . 0.0 110.237 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -167.17 116.61 0.85 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -0.807 . . . . 0.0 110.237 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.414 ' OE1' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -95.85 149.58 21.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.377 -0.827 . . . . 0.0 110.181 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.535 ' CD1' HD22 ' A' ' 32' ' ' LEU . 80.7 mt -104.01 121.83 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.369 -0.832 . . . . 0.0 110.169 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -89.25 160.21 17.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.381 -0.824 . . . . 0.0 110.133 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.705 ' CE2' HD11 ' A' ' 69' ' ' LEU . 18.7 t80 -56.43 -30.48 62.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.297 -0.877 . . . . 0.0 110.267 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -64.9 -60.01 3.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.824 . . . . 0.0 110.1 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.18 -33.14 73.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.397 -0.815 . . . . 0.0 110.084 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.463 ' CZ ' HG11 ' A' ' 35' ' ' VAL . 75.3 t80 -63.25 -47.65 81.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.085 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.705 HD11 ' CE2' ' A' ' 65' ' ' PHE . 36.9 mt -59.53 -42.45 92.35 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.319 -0.863 . . . . 0.0 110.12 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.33 86.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.286 -0.884 . . . . 0.0 110.054 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.1 -32.84 73.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.093 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.539 ' O ' HD12 ' A' ' 76' ' ' LEU . 90.6 mmm -72.68 -35.93 67.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.336 -0.852 . . . . 0.0 110.026 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.8 p -65.47 -35.9 82.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.455 -0.778 . . . . 0.0 110.182 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -73.81 -38.34 64.62 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.303 -0.873 . . . . 0.0 109.943 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.404 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.8 mm100 -76.06 -34.85 59.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.413 -0.804 . . . . 0.0 110.175 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 72' ' ' MET . 18.9 mt -62.19 -26.86 68.58 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.403 -0.811 . . . . 0.0 110.139 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 154.43 38.59 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.353 -0.842 . . . . 0.0 110.126 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -155.55 99.82 2.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.3 -0.875 . . . . 0.0 110.245 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -123.32 53.07 1.34 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.355 -0.84 . . . . 0.0 110.155 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -158.61 43.89 0.28 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.844 . . . . 0.0 110.176 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 m -78.18 -22.48 48.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.362 -0.836 . . . . 0.0 110.332 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.58 -53.86 53.52 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.293 -0.879 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -55.66 -40.21 71.94 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.381 -0.824 . . . . 0.0 110.397 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.16 -44.45 92.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.263 -0.898 . . . . 0.0 110.137 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.449 HD22 ' HE2' ' A' ' 89' ' ' PHE . 1.3 mt -63.01 -41.56 99.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.352 -0.843 . . . . 0.0 110.211 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.0 mt -62.28 -32.89 73.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.463 -0.773 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -67.87 -47.05 69.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.31 -0.869 . . . . 0.0 110.225 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.76 90.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.351 -0.843 . . . . 0.0 110.215 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 137' ' ' ILE . 12.9 m-85 -62.56 -35.45 79.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.39 -0.819 . . . . 0.0 110.211 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -63.56 -44.34 94.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.393 -0.817 . . . . 0.0 110.173 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.83 -38.83 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.396 -0.815 . . . . 0.0 110.051 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.453 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.7 m-85 -73.54 -26.59 60.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.319 -0.863 . . . . 0.0 110.251 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -61.07 133.94 56.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.263 -0.898 . . . . 0.0 110.229 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -103.11 -31.87 9.95 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.348 -0.845 . . . . 0.0 110.168 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -33.79 70.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.292 -0.88 . . . . 0.0 110.234 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.49 -30.05 7.83 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -77.76 -67.36 0.73 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.361 -1.082 . . . . 0.0 110.187 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.58 55.82 0.01 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 mt -130.43 108.59 10.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.412 -1.052 . . . . 0.0 110.22 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.98 160.23 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.339 -0.851 . . . . 0.0 110.235 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -79.72 160.24 26.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.442 -0.786 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.82 -34.87 60.57 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.283 -0.886 . . . . 0.0 110.46 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.12 -52.53 64.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.41 -0.806 . . . . 0.0 110.181 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 108' ' ' VAL . 30.6 mt-10 -62.76 -30.08 71.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.243 -0.91 . . . . 0.0 110.035 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.71 HD21 ' CE2' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -69.42 -42.37 75.12 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.391 -0.818 . . . . 0.0 110.157 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -65.2 -42.35 93.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.41 -0.806 . . . . 0.0 110.085 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -61.81 -36.25 80.58 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.346 -0.847 . . . . 0.0 110.087 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 104' ' ' GLU . 73.6 t -71.2 -36.66 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.385 -0.822 . . . . 0.0 110.075 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 105' ' ' LEU . 1.8 mp -66.9 -29.27 69.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.438 -0.789 . . . . 0.0 110.26 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 m -78.54 -34.79 46.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.431 -0.793 . . . . 0.0 110.262 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 t -69.11 -40.92 78.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.313 -0.867 . . . . 0.0 110.223 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.78 -27.25 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.409 -0.807 . . . . 0.0 110.11 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.35 33.6 25.26 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -74.78 146.33 42.19 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.327 -1.101 . . . . 0.0 110.115 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.81 63.81 7.0 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.393 -0.817 . . . . 0.0 110.298 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.505 HD11 HD22 ' A' ' 144' ' ' LEU . 33.1 mt -109.88 114.75 28.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.848 . . . . 0.0 110.173 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -62.17 159.97 13.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.363 -0.836 . . . . 0.0 110.227 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.16 -28.3 69.03 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.395 -0.815 . . . . 0.0 110.131 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.88 -32.86 73.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.419 -0.801 . . . . 0.0 110.144 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.26 -50.16 49.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.28 -0.887 . . . . 0.0 110.119 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.71 -29.75 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.321 -0.862 . . . . 0.0 109.954 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -73.86 -51.47 16.13 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.402 -0.811 . . . . 0.0 109.96 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -64.56 -31.64 72.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.825 . . . . 0.0 110.018 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 14.5 mtp -69.51 -36.46 76.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 110.05 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.74 -42.11 86.75 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.375 -0.828 . . . . 0.0 110.142 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -60.44 -32.47 71.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.331 -0.856 . . . . 0.0 110.264 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -80.27 -44.04 20.32 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.317 -0.864 . . . . 0.0 110.314 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.597 ' CG1' HG23 ' A' ' 135' ' ' ILE . 57.4 t -80.71 -56.84 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.265 -0.897 . . . . 0.0 110.367 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.3 t -56.32 122.14 11.16 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.327 -0.858 . . . . 0.0 110.368 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -169.96 -37.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.407 -0.808 . . . . 0.0 110.333 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.7 -81.8 0.07 OUTLIER Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.8 p -124.89 -58.4 1.48 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.362 -1.081 . . . . 0.0 110.351 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.59 -36.89 0.05 OUTLIER Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -79.62 133.9 36.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.279 -1.13 . . . . 0.0 110.207 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.597 HG23 ' CG1' ' A' ' 128' ' ' VAL . 47.4 mt -107.95 141.31 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.364 -0.835 . . . . 0.0 110.218 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -83.34 149.68 26.59 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.355 -0.841 . . . . 0.0 110.08 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.54 HD13 ' HB3' ' A' ' 89' ' ' PHE . 4.1 pt -70.01 -18.86 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.353 -0.842 . . . . 0.0 110.605 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.01 -47.44 84.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.902 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -64.2 -51.81 61.92 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.317 -0.865 . . . . 0.0 110.123 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.71 ' CE2' HD21 ' A' ' 105' ' ' LEU . 1.2 m-85 -63.7 -32.58 74.11 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.323 -0.861 . . . . 0.0 110.109 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.53 70.11 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.397 -0.814 . . . . 0.0 110.163 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.36 -39.23 48.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.358 -0.839 . . . . 0.0 110.096 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.85 -36.43 83.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.388 -0.82 . . . . 0.0 110.226 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.505 HD22 HD11 ' A' ' 116' ' ' LEU . 89.0 mt -78.61 -16.05 57.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.858 . . . . 0.0 110.436 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.4 m -57.8 -25.9 61.21 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.251 -0.905 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 13.7 mttp . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.22 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.201 0.524 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -98.84 -63.84 1.09 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.44 -0.787 . . . . 0.0 110.171 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -139.75 156.34 46.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.361 -0.837 . . . . 0.0 110.233 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.582 HD22 ' HE2' ' A' ' 12' ' ' PHE . 29.6 mt -65.37 135.78 55.71 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.313 -0.867 . . . . 0.0 110.203 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.44 ' O ' HD12 ' A' ' 9' ' ' ILE . 64.5 p -85.66 173.61 10.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.391 -0.818 . . . . 0.0 110.029 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -61.87 -38.6 88.89 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.286 -0.884 . . . . 0.0 110.195 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -62.84 -47.61 82.63 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.304 -0.873 . . . . 0.0 110.082 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.2 mt-30 -63.91 -44.73 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.833 . . . . 0.0 110.057 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 5' ' ' THR . 40.7 mt -62.5 -28.12 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.368 -0.833 . . . . 0.0 109.959 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.48 -40.87 69.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.333 -0.854 . . . . 0.0 110.062 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -65.05 -47.98 75.43 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.073 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.582 ' HE2' HD22 ' A' ' 4' ' ' LEU . 22.9 m-85 -59.9 -40.03 87.41 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.34 -0.85 . . . . 0.0 110.026 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 8.6 ttmt -61.6 -39.52 91.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.481 -0.762 . . . . 0.0 110.203 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -60.72 -56.74 17.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 110.172 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.21 71.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.405 -0.81 . . . . 0.0 110.09 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -69.45 -47.82 62.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.293 -0.879 . . . . 0.0 110.162 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.1 -28.86 69.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.374 -0.829 . . . . 0.0 110.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mt -61.43 -29.45 69.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.394 -0.816 . . . . 0.0 110.205 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.474 ' CD1' HG22 ' A' ' 35' ' ' VAL . 77.8 m-85 -110.64 30.03 7.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.231 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -113.98 143.07 45.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.301 -0.874 . . . . 0.0 110.015 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -90.47 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.399 -0.813 . . . . 0.0 110.201 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -175.79 35.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.973 -1.079 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -151.48 -66.19 0.18 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.32 -0.863 . . . . 0.0 110.335 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.15 127.84 53.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.297 -0.877 . . . . 0.0 110.213 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.52 82.01 0.21 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -144.62 137.21 26.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.349 -1.089 . . . . 0.0 110.291 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.8 pt -125.22 157.99 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.377 -0.827 . . . . 0.0 110.222 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 m -79.97 158.25 26.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 0.0 110.199 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -62.22 -32.14 72.77 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.335 -0.853 . . . . 0.0 110.216 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -62.3 -31.19 71.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.398 -0.813 . . . . 0.0 110.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.7 mt-10 -83.39 -20.26 34.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.397 -0.814 . . . . 0.0 110.29 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.525 HD11 ' CE ' ' A' ' 36' ' ' MET . 69.3 tp -53.59 -50.98 64.46 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.279 -0.888 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.63 89.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.265 -0.897 . . . . 0.0 110.067 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 m -68.67 -39.07 80.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.361 -0.837 . . . . 0.0 109.916 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 31' ' ' GLU . 83.4 t -62.78 -38.13 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.417 -0.802 . . . . 0.0 109.908 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.525 ' CE ' HD11 ' A' ' 32' ' ' LEU . 67.2 mtt -71.31 -30.18 65.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.352 -0.842 . . . . 0.0 109.878 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -67.5 -36.74 81.66 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.378 -0.826 . . . . 0.0 110.027 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.2 m -80.15 -32.86 38.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.838 . . . . 0.0 110.146 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.46 -24.94 67.72 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.34 -0.85 . . . . 0.0 110.272 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.91 33.43 1.53 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.2 mt -120.45 179.25 4.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.377 -1.072 . . . . 0.0 110.227 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 p -167.72 68.21 0.85 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.826 . . . . 0.0 110.169 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.92 137.3 24.13 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 O-C-N 123.742 1.391 . . . . 0.0 110.462 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.57 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -65.07 176.05 1.39 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.375 -0.828 . . . . 0.0 110.076 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.57 -28.94 69.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.403 -0.81 . . . . 0.0 110.173 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.53 74.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.362 -0.836 . . . . 0.0 110.005 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' OE1' ' NE2' ' A' ' 75' ' ' GLN . 13.7 mt-10 -68.76 -34.58 75.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.45 -0.781 . . . . 0.0 109.955 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 44' ' ' SER . 60.7 t -69.61 -40.52 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.789 . . . . 0.0 109.873 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.96 -36.78 85.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.444 -0.785 . . . . 0.0 109.962 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -63.87 -48.75 75.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.328 -0.857 . . . . 0.0 109.976 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.816 ' O ' HD12 ' A' ' 55' ' ' ILE . 5.0 mp -65.06 -43.94 90.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 mtt -68.95 -26.61 65.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 0.0 109.969 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -69.37 -37.93 77.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.334 -0.854 . . . . 0.0 109.971 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -76.97 -28.29 55.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.395 -0.815 . . . . 0.0 110.09 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.816 HD12 ' O ' ' A' ' 51' ' ' LEU . 3.9 mt -94.02 -62.49 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.376 -0.827 . . . . 0.0 110.006 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.23 104.55 0.33 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.359 -0.838 . . . . 0.0 110.22 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 55' ' ' ILE . 91.2 t -94.7 -50.83 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.374 -0.829 . . . . 0.0 110.15 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -113.23 -62.96 1.51 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.281 -0.887 . . . . 0.0 110.332 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.49 -56.56 0.02 OUTLIER Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -123.71 128.75 50.07 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.434 -1.039 . . . . 0.0 110.314 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -127.34 123.74 37.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.439 -0.788 . . . . 0.0 109.918 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.99 118.88 22.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.327 -0.858 . . . . 0.0 110.255 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.451 HD11 HG21 ' A' ' 55' ' ' ILE . 98.0 mt -91.26 122.23 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.422 -0.799 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.77 160.15 20.31 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.37 -0.831 . . . . 0.0 109.849 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.3 t80 -56.76 -34.34 67.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.25 -0.906 . . . . 0.0 110.315 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 p -61.82 -57.76 10.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.334 -0.854 . . . . 0.0 110.015 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.83 -31.61 72.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 109.934 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -63.1 -48.58 77.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.43 -0.793 . . . . 0.0 109.993 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' A' ' 65' ' ' PHE . 40.2 mt -60.08 -38.65 83.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.33 -0.856 . . . . 0.0 109.884 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.99 89.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.43 -0.794 . . . . 0.0 109.76 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.595 ' CD1' HD11 ' A' ' 55' ' ' ILE . 1.1 mt -62.91 -45.96 90.05 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.357 -0.84 . . . . 0.0 109.919 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.83 ' O ' HD12 ' A' ' 76' ' ' LEU . 97.1 mmm -62.25 -33.49 74.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 0.0 109.609 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -44.2 97.63 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.349 -0.845 . . . . 0.0 109.763 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -63.87 -39.02 93.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.394 -0.816 . . . . 0.0 109.514 179.493 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.455 ' NE2' ' OE1' ' A' ' 47' ' ' GLU . 3.9 mm-40 -73.15 -43.07 62.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.479 -0.763 . . . . 0.0 109.657 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.83 HD12 ' O ' ' A' ' 72' ' ' MET . 1.1 mt -92.5 46.48 1.25 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.407 -0.808 . . . . 0.0 109.842 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -158.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.358 -0.839 . . . . 0.0 110.408 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 m -60.4 89.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.456 -0.778 . . . . 0.0 110.392 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -92.83 106.13 18.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 110.031 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -97.38 -5.01 37.31 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.423 -0.798 . . . . 0.0 110.685 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.6 t -59.98 -70.46 0.17 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.949 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.0 -32.6 71.01 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.349 -0.844 . . . . 0.0 110.369 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.404 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 30.1 mt-30 -70.35 -40.79 73.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.317 -0.865 . . . . 0.0 110.027 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -60.07 -40.28 88.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.352 -0.843 . . . . 0.0 109.989 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.26 -51.42 66.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.387 -0.821 . . . . 0.0 109.814 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 82' ' ' GLU . 4.5 mt -65.26 -29.79 70.6 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.366 -0.834 . . . . 0.0 109.807 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 91' ' ' VAL . 15.0 tm-20 -76.53 -43.14 40.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.451 -0.78 . . . . 0.0 110.108 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.41 -48.33 75.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.333 -0.854 . . . . 0.0 110.213 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.591 ' CE1' HD12 ' A' ' 105' ' ' LEU . 16.4 m-85 -62.74 -37.83 88.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.162 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -61.77 -43.37 98.98 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.333 -0.854 . . . . 0.0 110.076 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 87' ' ' GLU . 61.6 t -65.3 -35.9 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.38 -0.825 . . . . 0.0 109.966 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.471 ' CE2' HG22 ' A' ' 108' ' ' VAL . 8.2 m-85 -74.45 -35.74 63.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.109 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' ASN . 24.7 t0 -62.52 -27.54 69.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.404 -0.81 . . . . 0.0 110.217 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.15 -65.36 0.19 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.55 -0.719 . . . . 0.0 110.526 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' ASP . 3.2 m-80 -54.19 -55.2 30.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.291 -0.881 . . . . 0.0 110.433 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.46 -21.51 5.69 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.75 -62.9 1.38 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.295 -1.121 . . . . 0.0 110.392 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.85 56.99 0.11 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mt -142.64 125.18 15.75 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.366 -1.079 . . . . 0.0 110.222 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.8 pt -140.0 160.06 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -0.852 . . . . 0.0 110.368 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.98 160.35 25.94 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.329 -0.857 . . . . 0.0 110.137 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.74 -28.37 21.85 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.409 -0.807 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.13 -53.26 39.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.136 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.741 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.4 mt-10 -61.11 -38.04 84.91 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.365 -0.835 . . . . 0.0 110.071 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.733 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 5.1 tp -62.22 -36.9 83.38 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.407 -0.808 . . . . 0.0 110.065 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -71.32 -42.78 68.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.46 -0.775 . . . . 0.0 110.133 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -66.0 -28.29 68.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.253 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 104' ' ' GLU . 96.1 t -79.96 -45.66 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.335 -0.853 . . . . 0.0 110.173 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -60.14 -29.9 68.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.395 -0.815 . . . . 0.0 110.249 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.8 m -78.16 -32.53 50.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.0 m -77.02 -37.56 54.74 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.354 -0.841 . . . . 0.0 110.162 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.734 HD11 HG12 ' A' ' 108' ' ' VAL . 57.7 mt -62.0 -26.09 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.288 -0.882 . . . . 0.0 110.226 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.95 38.75 22.25 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.523 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -75.29 -6.36 49.43 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.401 -1.058 . . . . 0.0 110.542 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? 54.63 44.37 28.75 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.157 -0.965 . . . . 0.0 110.412 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 114' ' ' GLU . 16.0 mt -104.33 124.17 48.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.322 -0.861 . . . . 0.0 110.213 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.9 p -70.32 167.18 18.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 0.0 110.256 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.44 -27.63 69.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.384 -0.822 . . . . 0.0 110.149 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.77 -47.69 84.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.355 -0.841 . . . . 0.0 110.177 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.65 -48.16 80.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.425 -0.797 . . . . 0.0 110.084 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.409 HG12 HD12 ' A' ' 125' ' ' LEU . 61.9 t -62.78 -34.1 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 109.951 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -67.44 -45.25 76.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.369 -0.832 . . . . 0.0 110.032 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.72 -28.59 66.97 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.403 -0.81 . . . . 0.0 110.084 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 128' ' ' VAL . 7.9 mtp -79.7 -34.72 39.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.374 -0.829 . . . . 0.0 110.099 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.538 HD23 ' CD1' ' A' ' 135' ' ' ILE . 6.9 mt -66.19 -41.27 90.45 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.36 -0.837 . . . . 0.0 110.169 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -66.01 -38.09 87.55 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.327 -0.858 . . . . 0.0 110.25 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.95 -36.3 36.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.31 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.729 HG12 HG23 ' A' ' 135' ' ' ILE . 73.4 t -83.23 -60.3 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.32 -0.863 . . . . 0.0 110.112 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 t -61.23 117.77 6.02 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.368 -0.832 . . . . 0.0 110.278 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.25 30.23 1.14 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.391 -0.818 . . . . 0.0 110.126 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -128.25 -94.21 0.8 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -134.39 -71.8 0.49 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.377 -1.072 . . . . 0.0 110.173 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.94 30.29 1.51 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -137.3 132.98 34.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -1.038 . . . . 0.0 110.169 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.729 HG23 HG12 ' A' ' 128' ' ' VAL . 85.0 mt -122.22 152.53 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.399 -0.813 . . . . 0.0 110.124 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.95 123.46 31.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.421 -0.799 . . . . 0.0 110.126 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.442 HG21 ' HB3' ' A' ' 89' ' ' PHE . 1.1 pt -63.26 -21.17 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.347 -0.846 . . . . 0.0 110.398 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.58 -39.82 84.84 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.256 -0.903 . . . . 0.0 110.178 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.17 -42.85 79.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.88 . . . . 0.0 110.136 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.733 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -67.52 -33.86 75.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.38 -0.825 . . . . 0.0 110.066 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.9 -35.05 77.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.388 -0.82 . . . . 0.0 110.149 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.33 61.89 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.405 -0.809 . . . . 0.0 110.092 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.43 -37.79 74.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.806 . . . . 0.0 110.113 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.86 -64.3 1.22 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.315 -0.865 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.8 t 52.29 -159.06 0.12 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.434 -0.791 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.2 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.143 0.497 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -119.05 151.32 38.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.397 -0.815 . . . . 0.0 110.148 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -149.15 166.93 27.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.332 -0.855 . . . . 0.0 110.14 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.564 HD22 ' HE2' ' A' ' 12' ' ' PHE . 40.4 mt -80.59 127.53 32.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.84 . . . . 0.0 110.265 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.7 p -86.28 179.36 6.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.388 -0.82 . . . . 0.0 109.991 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.37 -36.21 81.57 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.852 . . . . 0.0 110.119 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.83 -46.01 80.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -66.57 -44.52 82.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.406 -0.809 . . . . 0.0 110.056 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.51 -29.8 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 109.84 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.62 75.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.375 -0.828 . . . . 0.0 109.853 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -65.18 -50.37 66.2 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.756 . . . . 0.0 109.983 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.564 ' HE2' HD22 ' A' ' 4' ' ' LEU . 25.3 m-85 -60.07 -33.39 72.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.332 -0.855 . . . . 0.0 109.99 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.48 -44.54 96.15 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.356 -0.84 . . . . 0.0 110.017 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.57 -47.08 87.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.34 -0.85 . . . . 0.0 110.04 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -68.69 -36.49 78.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.349 -0.845 . . . . 0.0 109.94 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.884 ' CE1' HG23 ' A' ' 27' ' ' ILE . 4.6 t80 -67.28 -48.98 66.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.414 -0.804 . . . . 0.0 110.079 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -28.5 69.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.16 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 15' ' ' ALA . 12.4 mt -62.23 -26.79 68.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.388 -0.82 . . . . 0.0 110.246 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -116.18 33.16 5.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.352 -0.843 . . . . 0.0 110.217 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -107.79 169.98 8.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.384 -0.823 . . . . 0.0 109.922 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -68.33 -83.24 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.367 -0.833 . . . . 0.0 110.058 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -173.97 29.47 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.176 -0.953 . . . . 0.0 110.5 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -173.27 -64.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.16 -0.962 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -67.27 177.52 1.82 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.39 -0.819 . . . . 0.0 110.286 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.58 59.81 0.56 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -134.82 141.08 46.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.352 -1.087 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.884 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -124.51 159.79 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.375 -0.828 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.1 m -83.89 160.15 21.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.858 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -60.22 -39.44 86.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.388 -0.82 . . . . 0.0 110.434 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -27.75 60.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.277 -0.889 . . . . 0.0 110.391 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 35' ' ' VAL . 26.9 mt-10 -91.59 -17.15 26.02 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.357 -0.84 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.542 HD22 HD13 ' A' ' 55' ' ' ILE . 67.8 tp -54.99 -58.69 6.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.202 -0.936 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.28 67.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.233 -0.917 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.8 m -70.23 -37.7 75.04 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.385 -0.822 . . . . 0.0 110.087 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 31' ' ' GLU . 84.2 t -61.22 -38.59 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 0.0 109.834 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.7 mtt -70.4 -36.64 74.18 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.334 -0.854 . . . . 0.0 109.801 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.1 mtp85 -65.69 -35.16 79.96 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.481 -0.762 . . . . 0.0 110.11 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.76 -33.44 40.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.46 -0.775 . . . . 0.0 110.259 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.49 -26.37 67.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.423 -0.798 . . . . 0.0 110.133 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.39 35.65 0.69 Allowed Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.0 mt -124.89 178.71 5.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.273 -1.134 . . . . 0.0 110.076 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -167.45 67.16 0.85 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.354 -0.841 . . . . 0.0 110.249 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.16 138.5 27.98 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.726 1.382 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.34 168.9 1.85 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.302 -0.874 . . . . 0.0 110.161 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.81 -28.45 67.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.238 -0.914 . . . . 0.0 110.177 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.26 76.61 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.375 -0.828 . . . . 0.0 110.064 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.13 -40.59 94.68 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.403 -0.81 . . . . 0.0 109.965 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.17 -39.65 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.339 -0.851 . . . . 0.0 110.005 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.02 -41.79 97.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.408 -0.808 . . . . 0.0 110.094 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -60.57 -49.59 76.94 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.382 -0.824 . . . . 0.0 110.122 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.18 -41.11 98.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.273 -0.892 . . . . 0.0 110.08 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.1 mtt -70.12 -28.02 65.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.414 -0.804 . . . . 0.0 109.991 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -68.68 -35.86 77.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.3 -0.875 . . . . 0.0 109.903 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -80.57 -28.62 37.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.36 -0.838 . . . . 0.0 109.953 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.563 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 28.8 mt -94.71 -65.0 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.376 -0.827 . . . . 0.0 109.983 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.47 105.61 0.45 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.424 -0.797 . . . . 0.0 110.271 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 55' ' ' ILE . 81.8 t -93.95 -55.71 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.325 -0.859 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -101.63 -27.27 13.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.407 -0.808 . . . . 0.0 110.289 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.88 -29.72 1.13 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -127.27 85.26 2.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.355 -1.085 . . . . 0.0 110.269 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 55' ' ' ILE . 18.9 t-80 -105.78 133.97 49.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.317 -0.865 . . . . 0.0 110.098 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -95.18 112.68 24.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.43 -0.793 . . . . 0.0 110.223 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.453 ' CD1' HD22 ' A' ' 32' ' ' LEU . 77.9 mt -79.84 135.02 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.873 . . . . 0.0 110.114 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.11 160.04 15.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.371 -0.831 . . . . 0.0 110.144 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 69' ' ' LEU . 22.0 t80 -59.38 -26.46 65.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.39 -0.819 . . . . 0.0 110.375 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 t -72.49 -51.06 21.73 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.257 -0.902 . . . . 0.0 110.176 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 71' ' ' LEU . 7.6 mm-40 -67.07 -32.2 73.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.374 -0.829 . . . . 0.0 110.126 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.24 -48.96 71.44 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.302 -0.873 . . . . 0.0 110.12 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 65' ' ' PHE . 62.9 mt -60.16 -40.9 91.52 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.084 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.32 73.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.326 -0.859 . . . . 0.0 110.055 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 67' ' ' GLU . 27.4 mt -65.42 -34.63 78.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.369 -0.832 . . . . 0.0 109.972 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.686 ' O ' HD12 ' A' ' 76' ' ' LEU . 76.0 mmm -66.88 -42.09 86.17 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.389 -0.82 . . . . 0.0 110.113 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -43.37 98.99 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.313 -0.867 . . . . 0.0 110.162 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -67.72 -26.54 66.21 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.344 -0.847 . . . . 0.0 110.146 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -85.87 -46.2 10.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.379 -0.826 . . . . 0.0 110.23 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.686 HD12 ' O ' ' A' ' 72' ' ' MET . 5.2 mt -64.39 -78.64 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.338 -0.851 . . . . 0.0 110.086 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 tptp 50.32 54.38 11.23 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.282 -0.886 . . . . 0.0 110.675 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.2 p -60.89 147.78 41.85 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.318 -0.864 . . . . 0.0 110.133 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -82.07 57.62 3.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.346 -0.846 . . . . 0.0 110.233 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t70 52.12 -175.11 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.27 -0.894 . . . . 0.0 110.474 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.78 -9.88 59.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.399 -0.813 . . . . 0.0 110.537 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -55.63 -55.29 33.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.178 -0.951 . . . . 0.0 110.433 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -55.31 -41.91 73.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.342 -0.849 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.87 -36.44 80.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.364 -0.835 . . . . 0.0 109.796 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.433 HD22 ' HE2' ' A' ' 89' ' ' PHE . 2.4 mt -69.81 -44.7 69.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.451 -0.78 . . . . 0.0 109.823 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.67 -30.91 71.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 0.0 109.922 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.8 -50.1 63.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 109.877 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.87 89.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.399 -0.813 . . . . 0.0 109.993 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.675 ' HB3' HG21 ' A' ' 137' ' ' ILE . 10.8 m-85 -61.07 -36.12 78.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.428 -0.795 . . . . 0.0 109.994 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -61.94 -45.44 93.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.398 -0.814 . . . . 0.0 109.909 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.05 -32.58 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.395 -0.816 . . . . 0.0 109.878 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.19 -30.61 54.88 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.437 -0.789 . . . . 0.0 110.134 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 1.0 OUTLIER -63.69 -42.87 97.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.369 -0.832 . . . . 0.0 110.24 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 93' ' ' ASP . 11.7 tptt 67.6 -61.38 0.36 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.528 -0.733 . . . . 0.0 110.721 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -50.5 -33.05 19.97 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.174 -0.954 . . . . 0.0 110.705 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.31 -48.98 0.9 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -57.11 -175.58 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.229 -1.159 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -116.95 68.91 0.29 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mt -146.94 124.41 11.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -1.103 . . . . 0.0 110.203 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.6 pt -139.44 160.28 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.394 -0.816 . . . . 0.0 110.237 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.6 160.27 26.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.395 -0.816 . . . . 0.0 110.248 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.25 -30.33 27.21 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.357 -0.84 . . . . 0.0 110.485 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.15 -52.29 56.02 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.304 -0.873 . . . . 0.0 110.065 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.769 ' O ' HG23 ' A' ' 108' ' ' VAL . 16.7 mt-10 -63.47 -28.82 70.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 0.0 110.052 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.809 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -71.04 -42.32 69.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.342 -0.849 . . . . 0.0 110.17 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -39.38 93.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 0.0 110.181 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.65 -37.08 85.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.349 -0.845 . . . . 0.0 110.203 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 104' ' ' GLU . 75.2 t -68.64 -44.97 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.355 -0.841 . . . . 0.0 110.078 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -30.75 70.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.315 -0.865 . . . . 0.0 110.172 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -79.58 -29.68 41.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.327 -0.858 . . . . 0.0 110.16 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -75.82 -38.48 58.08 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.354 -0.842 . . . . 0.0 110.212 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.13 -25.23 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.392 -0.817 . . . . 0.0 110.137 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.58 28.54 47.09 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.26 150.2 46.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.388 -1.066 . . . . 0.0 110.184 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.36 64.33 6.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.325 -0.859 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.65 HD11 HD22 ' A' ' 144' ' ' LEU . 39.1 mt -123.22 132.67 54.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.332 -0.855 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 42.1 p -81.97 179.21 7.9 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.434 -0.791 . . . . 0.0 110.223 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -27.43 64.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.353 -0.842 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.77 77.76 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.373 -0.83 . . . . 0.0 110.177 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.61 -49.3 60.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.382 -0.824 . . . . 0.0 110.126 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.31 -31.03 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.359 -0.838 . . . . 0.0 110.129 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.31 -44.17 75.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.389 -0.819 . . . . 0.0 110.124 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -71.99 -35.16 69.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.415 -0.803 . . . . 0.0 110.116 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.1 ttp -72.52 -28.36 62.81 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.38 -0.825 . . . . 0.0 110.155 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.7 mt -73.72 -44.26 56.91 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.306 -0.871 . . . . 0.0 110.055 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -27.85 69.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.353 -0.842 . . . . 0.0 110.16 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.97 -24.86 40.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.332 -0.855 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.656 ' CG1' HG23 ' A' ' 135' ' ' ILE . 52.3 t -108.22 -63.27 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.292 -0.88 . . . . 0.0 110.189 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -157.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.381 -0.825 . . . . 0.0 110.281 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.0 t70 53.8 39.92 30.91 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.305 -0.872 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -134.44 -83.95 0.2 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.6 m -99.51 -41.88 7.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.302 -1.117 . . . . 0.0 110.241 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 158.92 -73.78 0.22 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -80.37 154.78 27.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.407 -1.055 . . . . 0.0 110.223 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.656 HG23 ' CG1' ' A' ' 128' ' ' VAL . 85.9 mt -104.26 146.31 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.447 -0.783 . . . . 0.0 110.243 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.34 132.43 34.95 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.36 -0.838 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.675 HG21 ' HB3' ' A' ' 89' ' ' PHE . 17.3 pt -69.27 -21.76 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -64.62 -42.23 95.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.292 -0.88 . . . . 0.0 110.152 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -70.26 -42.24 72.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 110.203 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.809 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -67.58 -45.66 74.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.3 -0.875 . . . . 0.0 110.03 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.92 -28.55 70.14 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.344 -0.848 . . . . 0.0 110.124 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.36 -29.19 53.22 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.338 -0.851 . . . . 0.0 110.161 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.43 -32.87 62.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.427 -0.796 . . . . 0.0 110.19 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.65 HD22 HD11 ' A' ' 116' ' ' LEU . 88.4 mt -79.79 -20.09 47.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.456 -0.777 . . . . 0.0 110.397 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.9 t -58.27 -48.77 79.41 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.209 -0.932 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.5 tttm . . . . . 0 N--CA 1.495 1.809 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.462 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.204 0.526 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -164.19 50.32 0.13 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.305 -0.872 . . . . 0.0 110.223 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 57.44 104.95 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.426 -0.796 . . . . 0.0 110.506 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.442 ' O ' HD11 ' A' ' 9' ' ' ILE . 10.2 mt -54.14 137.74 39.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.296 -0.877 . . . . 0.0 110.464 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.0 p -79.61 175.13 10.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.373 -0.829 . . . . 0.0 110.111 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -62.22 -38.27 88.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.372 -0.83 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -61.08 -51.38 69.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.403 -0.811 . . . . 0.0 110.067 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 14.3 mm100 -62.75 -46.1 89.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.414 -0.804 . . . . 0.0 110.136 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.442 HD11 ' O ' ' A' ' 4' ' ' LEU . 76.1 mt -63.63 -29.82 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.287 -0.883 . . . . 0.0 109.986 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.02 88.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.395 -0.816 . . . . 0.0 110.114 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.85 -48.56 78.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.419 -0.8 . . . . 0.0 110.212 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 26.7 m-85 -60.58 -40.97 93.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.397 -0.814 . . . . 0.0 110.191 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 15.0 ttmt -58.7 -37.24 75.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.309 -0.87 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.19 -55.27 19.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.372 -0.83 . . . . 0.0 110.084 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.452 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -64.92 -32.39 74.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.33 -0.856 . . . . 0.0 110.181 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.707 ' CE1' HG23 ' A' ' 27' ' ' ILE . 7.6 t80 -68.95 -51.29 41.22 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.368 -0.832 . . . . 0.0 110.187 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.54 67.32 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.415 -0.803 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 15' ' ' ALA . 12.4 mt -64.17 -25.38 68.05 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.454 -0.779 . . . . 0.0 110.428 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -116.5 32.17 6.29 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.221 -0.924 . . . . 0.0 110.44 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -117.97 -78.46 0.58 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.287 -0.883 . . . . 0.0 110.184 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? 50.45 39.73 21.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.298 -0.877 . . . . 0.0 110.777 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -110.49 -91.37 0.46 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.236 -0.915 . . . . 0.0 110.234 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -173.62 32.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.108 -0.995 . . . . 0.0 110.269 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -170.36 -73.1 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.307 -0.871 . . . . 0.0 110.243 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.54 63.57 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 m -141.27 141.25 33.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.34 -1.094 . . . . 0.0 110.197 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.707 HG23 ' CE1' ' A' ' 16' ' ' PHE . 45.0 pt -125.31 157.37 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.447 -0.783 . . . . 0.0 110.274 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 m -83.21 156.95 22.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -0.894 . . . . 0.0 110.172 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -60.63 -28.24 68.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.352 -0.842 . . . . 0.0 110.198 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.0 p -61.71 -29.14 69.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.438 -0.789 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.824 ' O ' HG23 ' A' ' 35' ' ' VAL . 19.6 mt-10 -94.72 -14.01 25.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.365 -0.834 . . . . 0.0 110.536 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 63' ' ' ILE . 54.0 tp -56.03 -44.55 78.87 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.234 -0.916 . . . . 0.0 110.455 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.685 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -61.46 -45.8 92.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.346 -0.846 . . . . 0.0 110.203 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.6 m -64.63 -36.17 83.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.378 -0.826 . . . . 0.0 110.019 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 31' ' ' GLU . 91.3 t -62.09 -39.42 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.38 -0.825 . . . . 0.0 109.908 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.3 mtt -69.76 -35.14 74.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.368 -0.832 . . . . 0.0 109.937 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -68.53 -40.31 80.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.426 -0.796 . . . . 0.0 110.214 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.5 m -68.22 -35.02 77.31 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.798 . . . . 0.0 110.163 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.521 HD13 ' HE1' ' A' ' 72' ' ' MET . 14.4 mt -65.04 -33.75 76.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.485 -0.76 . . . . 0.0 110.062 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.62 -9.94 2.9 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -78.78 178.99 7.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.247 -1.149 . . . . 0.0 110.106 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -167.9 58.27 0.4 Allowed Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.311 -0.868 . . . . 0.0 110.286 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.99 137.18 26.2 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 O-C-N 123.79 1.416 . . . . 0.0 110.368 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -60.5 171.04 1.19 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.352 -0.842 . . . . 0.0 110.15 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -29.61 67.6 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 110.216 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.89 85.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.418 -0.801 . . . . 0.0 110.04 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -65.34 -42.01 93.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.052 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.685 ' CG1' ' HB2' ' A' ' 33' ' ' ALA . 50.1 t -64.26 -37.17 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.411 -0.806 . . . . 0.0 109.98 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.09 -39.9 96.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.386 -0.821 . . . . 0.0 109.951 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -62.26 -50.63 70.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.371 -0.831 . . . . 0.0 110.05 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.64 -42.18 98.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.354 -0.841 . . . . 0.0 109.996 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.0 mtt -66.77 -41.9 86.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.372 -0.83 . . . . 0.0 110.061 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -60.72 -28.03 68.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.378 -0.826 . . . . 0.0 110.08 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -82.03 -27.92 32.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.344 -0.848 . . . . 0.0 109.888 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.564 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 3.9 mt -84.24 -56.01 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.41 -0.806 . . . . 0.0 110.046 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -56.01 146.82 21.41 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.244 -0.91 . . . . 0.0 110.56 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 55' ' ' ILE . 89.7 t -141.98 -59.8 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.386 -0.821 . . . . 0.0 110.094 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -98.15 -42.93 7.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.445 -0.784 . . . . 0.0 110.18 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.3 -78.92 0.05 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -100.24 97.19 8.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.41 -1.053 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 55' ' ' ILE . 13.4 t-80 -98.21 114.05 26.17 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.384 -0.822 . . . . 0.0 110.228 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -84.15 121.95 28.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.314 -0.866 . . . . 0.0 109.904 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.413 ' CD1' HD22 ' A' ' 32' ' ' LEU . 79.8 mt -79.7 132.94 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.305 -0.872 . . . . 0.0 110.1 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -94.41 160.14 14.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.456 -0.777 . . . . 0.0 110.123 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.8 t80 -57.73 -27.89 63.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.262 -0.899 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -69.91 -51.73 30.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.364 -0.835 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.87 -35.35 79.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.383 -0.823 . . . . 0.0 110.058 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -64.41 -46.27 84.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.363 -0.836 . . . . 0.0 110.155 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.776 HD11 ' CE2' ' A' ' 65' ' ' PHE . 54.1 mt -60.67 -40.79 93.44 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.401 -0.812 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.47 -43.13 73.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.304 -0.872 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.31 -33.85 76.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.361 -0.837 . . . . 0.0 110.187 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.561 ' O ' HD12 ' A' ' 76' ' ' LEU . 77.8 mmm -71.68 -35.59 70.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.397 -0.814 . . . . 0.0 110.171 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 55.0 p -66.46 -37.06 84.3 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.329 -0.857 . . . . 0.0 110.115 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -69.93 -34.75 73.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.387 -0.821 . . . . 0.0 110.179 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -87.39 -28.97 21.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.345 -0.847 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 72' ' ' MET . 7.3 mt -61.91 -41.41 97.88 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.393 -0.817 . . . . 0.0 110.2 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 -166.33 1.39 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.339 -0.85 . . . . 0.0 110.14 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.6 m -151.02 42.78 0.78 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.366 -0.834 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -105.3 155.03 19.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.478 -0.764 . . . . 0.0 110.198 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.07 158.31 44.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.301 -0.874 . . . . 0.0 110.222 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -78.96 -14.73 59.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.502 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -56.58 -56.98 14.53 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.235 -0.916 . . . . 0.0 110.389 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.49 -30.36 68.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.378 -0.826 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -69.26 -41.18 77.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.824 . . . . 0.0 110.163 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.5 ' CD2' HD13 ' A' ' 112' ' ' ILE . 1.2 mt -67.54 -44.22 78.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.378 -0.826 . . . . 0.0 110.102 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.88 -27.15 68.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.437 -0.79 . . . . 0.0 110.217 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.696 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.6 OUTLIER -71.65 -43.15 66.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.369 -0.832 . . . . 0.0 110.186 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.68 -46.26 72.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.373 -0.829 . . . . 0.0 110.177 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.619 ' HB3' HD13 ' A' ' 137' ' ' ILE . 15.9 m-85 -63.1 -34.49 77.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.372 -0.83 . . . . 0.0 110.193 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -66.74 -38.94 87.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.346 -0.846 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 87' ' ' GLU . 59.7 t -65.97 -36.38 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.37 -0.831 . . . . 0.0 110.109 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -69.37 -30.28 68.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.337 -0.852 . . . . 0.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.6 141.75 40.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -106.74 -44.36 4.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.365 -0.834 . . . . 0.0 110.152 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -58.4 -41.36 84.73 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.343 -0.848 . . . . 0.0 110.19 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.82 -42.15 1.49 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.5 150.34 44.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.345 -1.091 . . . . 0.0 110.232 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.01 83.66 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 99' ' ' LEU . 14.1 mt -146.32 111.36 5.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.376 -1.073 . . . . 0.0 110.224 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.7 pt -139.11 160.3 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.304 -0.873 . . . . 0.0 110.225 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -79.74 160.17 26.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.229 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.58 -33.67 60.66 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.36 -0.838 . . . . 0.0 110.394 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.1 -53.25 58.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.258 -0.901 . . . . 0.0 110.115 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.737 ' O ' HG23 ' A' ' 108' ' ' VAL . 22.1 mt-10 -62.55 -28.83 70.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.361 -0.837 . . . . 0.0 109.971 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.67 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -70.25 -43.93 69.54 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.353 -0.842 . . . . 0.0 110.041 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.95 -40.51 91.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.359 -0.838 . . . . 0.0 110.081 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -62.27 -36.48 82.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.099 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 104' ' ' GLU . 92.9 t -71.77 -37.17 61.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.437 -0.789 . . . . 0.0 110.085 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 105' ' ' LEU . 4.3 mp -62.65 -35.21 78.88 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.362 -0.836 . . . . 0.0 110.257 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.0 m -75.0 -36.08 61.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -68.13 -40.75 82.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.364 -0.835 . . . . 0.0 110.125 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.562 HD11 HG12 ' A' ' 108' ' ' VAL . 63.8 mt -62.11 -26.18 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.317 -0.865 . . . . 0.0 110.136 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.33 30.92 26.49 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.65 130.16 39.02 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.362 -1.081 . . . . 0.0 110.156 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 64.25 4.68 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.384 -0.822 . . . . 0.0 110.264 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.4 mt -111.74 131.82 55.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.886 . . . . 0.0 110.25 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.8 p -73.14 -178.82 3.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.377 -0.827 . . . . 0.0 110.109 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.46 -33.34 54.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 0.0 110.133 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.37 83.72 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.308 -0.87 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.4 -52.09 63.06 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 110.121 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.401 HG12 HD12 ' A' ' 125' ' ' LEU . 89.4 t -61.23 -25.6 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.379 -0.825 . . . . 0.0 110.031 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.47 -49.22 23.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.344 -0.847 . . . . 0.0 110.03 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -69.07 -33.21 73.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.459 -0.776 . . . . 0.0 110.066 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.563 ' O ' HG23 ' A' ' 128' ' ' VAL . 2.7 ttp -75.63 -28.4 58.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.403 -0.811 . . . . 0.0 110.158 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.401 HD12 HG12 ' A' ' 121' ' ' VAL . 8.7 mt -72.57 -39.86 67.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.406 -0.809 . . . . 0.0 110.265 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -66.4 -33.01 74.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.368 -0.833 . . . . 0.0 110.237 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -80.0 -30.9 39.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.322 -0.862 . . . . 0.0 110.374 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 124' ' ' MET . 57.8 t -89.41 -35.65 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 110.152 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 t -75.02 64.51 1.34 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.2 -27.24 63.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.352 -0.843 . . . . 0.0 110.187 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -97.23 -114.29 3.18 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.66 -38.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -1.11 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -60.41 -100.71 0.01 OUTLIER Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -108.08 159.58 16.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.31 -1.111 . . . . 0.0 110.321 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.561 HG23 HG12 ' A' ' 128' ' ' VAL . 74.2 mt -101.41 155.29 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.358 -0.839 . . . . 0.0 110.158 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.02 122.56 35.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.436 -0.79 . . . . 0.0 110.095 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.619 HD13 ' HB3' ' A' ' 89' ' ' PHE . 8.7 pt -61.9 -20.48 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.362 -0.836 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -43.0 97.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.233 -0.917 . . . . 0.0 110.142 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -71.04 -43.71 67.3 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.318 -0.864 . . . . 0.0 110.04 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.67 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -67.27 -44.38 79.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.298 -0.876 . . . . 0.0 109.936 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.34 75.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.445 -0.785 . . . . 0.0 110.099 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.77 89.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.317 -0.864 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.502 HD13 ' CG ' ' A' ' 124' ' ' MET . 5.7 mt -68.03 -38.01 82.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.429 -0.795 . . . . 0.0 110.063 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.44 -25.17 45.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.437 -0.789 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t -60.19 90.59 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.338 -0.851 . . . . 0.0 110.231 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.21 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.142 0.496 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -68.94 -88.21 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.382 -0.824 . . . . 0.0 110.154 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 49.26 -169.28 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.118 -0.989 . . . . 0.0 110.656 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 1.1 mp -51.1 175.35 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.509 -0.745 . . . . 0.0 110.613 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p -91.35 166.34 12.95 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.433 -0.792 . . . . 0.0 109.774 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 11.3 mt-10 -58.77 -35.43 72.77 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.212 -0.93 . . . . 0.0 110.234 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.54 -55.72 21.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 109.759 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -62.54 -42.16 99.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 109.946 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.45 ' CG1' ' HB2' ' A' ' 4' ' ' LEU . 78.5 mt -68.94 -32.85 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 0.0 109.664 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -62.06 -36.75 82.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.459 -0.776 . . . . 0.0 109.741 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.59 -48.11 56.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.365 -0.834 . . . . 0.0 109.986 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.49 -41.12 96.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 0.0 109.924 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -59.99 -41.49 92.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.393 -0.817 . . . . 0.0 110.37 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.35 -55.43 33.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.346 -0.847 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -64.62 -30.66 71.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.308 -0.87 . . . . 0.0 110.204 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CE1' HG23 ' A' ' 27' ' ' ILE . 7.6 t80 -72.58 -38.14 67.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.354 -0.841 . . . . 0.0 110.225 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.18 -28.97 65.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.395 -0.816 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 15' ' ' ALA . 28.5 mt -61.76 -25.88 67.73 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.869 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -116.49 33.36 5.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.333 -0.854 . . . . 0.0 110.264 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -124.06 77.74 1.57 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.86 . . . . 0.0 110.42 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -132.09 62.8 1.63 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.365 -0.835 . . . . 0.0 109.89 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -157.52 -38.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.356 -0.84 . . . . 0.0 110.507 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.27 -77.9 0.59 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.242 -0.911 . . . . 0.0 110.393 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -167.99 -62.01 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.213 -0.93 . . . . 0.0 110.396 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.4 57.4 0.56 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.21 132.46 12.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.367 -1.079 . . . . 0.0 109.976 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.582 HG23 ' CE1' ' A' ' 16' ' ' PHE . 45.0 pt -116.93 159.57 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.346 -0.846 . . . . 0.0 110.305 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -88.56 160.09 17.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.428 -0.795 . . . . 0.0 110.213 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.15 -37.23 76.8 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.371 -0.831 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -55.57 -27.0 46.66 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.391 -0.818 . . . . 0.0 110.333 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.808 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.4 mt-10 -98.6 -16.28 19.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.351 -0.843 . . . . 0.0 110.315 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' A' ' 63' ' ' ILE . 44.2 tp -57.56 -51.54 69.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.317 -0.865 . . . . 0.0 110.357 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.13 74.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.345 -0.847 . . . . 0.0 110.106 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.2 m -69.09 -36.74 77.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.342 -0.849 . . . . 0.0 110.082 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 31' ' ' GLU . 79.6 t -62.89 -37.53 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 0.0 109.949 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.2 mtt -69.89 -37.68 76.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.419 -0.801 . . . . 0.0 109.914 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -62.9 -37.55 87.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.374 -0.829 . . . . 0.0 110.13 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -78.16 -32.06 50.0 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.366 -0.834 . . . . 0.0 110.091 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.99 -22.78 64.98 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.379 -0.826 . . . . 0.0 110.184 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.54 34.52 0.92 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.0 mt -125.92 175.79 7.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.324 -1.104 . . . . 0.0 110.323 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -168.18 62.65 0.56 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.464 -0.772 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.62 139.73 31.56 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.811 1.427 . . . . 0.0 110.49 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 m -62.58 169.14 3.2 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.396 -0.815 . . . . 0.0 110.027 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -28.18 65.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.336 -0.853 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.35 76.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.044 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.02 -42.12 94.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.0 110.042 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.42 -39.23 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.389 -0.819 . . . . 0.0 109.966 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -61.27 -42.21 98.24 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.506 -0.746 . . . . 0.0 110.069 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.53 -49.33 78.21 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.444 -0.785 . . . . 0.0 110.207 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.545 HD21 ' OE1' ' A' ' 75' ' ' GLN . 7.4 mp -63.97 -44.94 91.2 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.263 -0.898 . . . . 0.0 110.132 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.8 mtt -64.51 -28.82 69.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 110.057 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -68.19 -41.98 80.62 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.085 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.72 -30.73 68.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.157 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.631 HD11 HD13 ' A' ' 71' ' ' LEU . 11.8 mt -88.3 -55.61 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.1 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.75 67.97 0.26 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.444 -0.785 . . . . 0.0 110.337 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.89 -69.93 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.377 -0.827 . . . . 0.0 109.915 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -85.22 -144.6 0.1 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.426 -0.796 . . . . 0.0 109.745 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.77 11.62 68.21 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -171.16 140.77 1.54 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.126 -1.22 . . . . 0.0 110.492 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 55' ' ' ILE . 10.6 t-80 -167.54 106.67 0.56 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.394 -0.817 . . . . 0.0 110.086 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -82.01 138.19 34.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.342 -0.849 . . . . 0.0 110.197 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.467 ' CD1' HD22 ' A' ' 32' ' ' LEU . 79.8 mt -90.18 121.2 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.37 -0.831 . . . . 0.0 110.129 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.86 160.2 18.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.392 -0.817 . . . . 0.0 110.02 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.6 t80 -56.06 -26.3 48.69 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.365 -0.835 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -71.66 -51.08 24.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.353 -0.842 . . . . 0.0 109.978 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.02 -35.6 80.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.386 -0.821 . . . . 0.0 110.017 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -62.12 -50.71 70.81 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.446 -0.784 . . . . 0.0 109.954 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 65' ' ' PHE . 55.4 mt -58.89 -37.09 75.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 110.054 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.81 -47.41 72.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.631 HD13 HD11 ' A' ' 55' ' ' ILE . 3.1 mt -61.88 -42.99 99.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.424 -0.798 . . . . 0.0 110.024 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.509 ' O ' HD12 ' A' ' 76' ' ' LEU . 91.4 mmm -64.06 -41.14 97.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.39 -0.819 . . . . 0.0 109.98 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.3 t -58.44 -38.0 76.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.372 -0.83 . . . . 0.0 110.195 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -67.12 -43.13 83.23 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.478 -0.764 . . . . 0.0 109.965 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.545 ' OE1' HD21 ' A' ' 51' ' ' LEU . 34.6 mt-30 -69.82 -41.16 75.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.356 -0.84 . . . . 0.0 109.992 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 72' ' ' MET . 11.0 mt -66.12 -26.98 67.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.417 -0.802 . . . . 0.0 110.129 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 155.03 20.89 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.833 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -167.79 102.45 0.48 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.4 -0.813 . . . . 0.0 110.137 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -143.42 140.14 30.28 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.372 -0.83 . . . . 0.0 110.249 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -162.24 84.34 0.57 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 0.0 110.267 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 m -72.99 -41.67 64.07 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.333 -0.854 . . . . 0.0 110.23 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.38 -56.33 17.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.398 -0.814 . . . . 0.0 110.164 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -27.09 61.81 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.414 -0.804 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.56 -45.38 75.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.304 -0.873 . . . . 0.0 110.077 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.457 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -64.38 -46.43 83.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.321 -0.862 . . . . 0.0 109.911 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.47 -31.11 71.65 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.37 -0.831 . . . . 0.0 110.094 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 91' ' ' VAL . 17.7 mm-40 -74.18 -42.88 59.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.383 -0.823 . . . . 0.0 110.095 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.28 99.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.349 -0.844 . . . . 0.0 110.063 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.615 ' HB3' HD13 ' A' ' 137' ' ' ILE . 12.4 m-85 -66.98 -37.47 84.3 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.365 -0.835 . . . . 0.0 110.045 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -65.31 -37.26 86.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.377 -0.827 . . . . 0.0 110.194 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 87' ' ' GLU . 79.5 t -65.0 -45.55 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.042 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.477 ' CE2' HG22 ' A' ' 108' ' ' VAL . 8.5 m-85 -60.84 -25.2 66.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.365 -0.834 . . . . 0.0 110.226 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.65 171.84 1.43 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.368 -0.833 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 -69.88 0.74 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.876 . . . . 0.0 110.218 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -84.17 -61.74 1.74 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.308 -0.87 . . . . 0.0 110.223 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.25 45.21 0.02 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.87 -31.34 6.14 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.335 -1.097 . . . . 0.0 110.137 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.66 64.5 0.56 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.6 mt -146.26 104.58 3.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -1.118 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.413 HD11 HD12 ' A' ' 105' ' ' LEU . 44.8 pt -129.42 159.02 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.373 -0.829 . . . . 0.0 110.23 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -79.93 160.18 26.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.382 -0.824 . . . . 0.0 110.194 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.03 -34.41 59.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.358 -0.838 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.13 87.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.047 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.75 ' O ' HG23 ' A' ' 108' ' ' VAL . 18.7 mt-10 -69.31 -31.06 69.29 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.342 -0.849 . . . . 0.0 109.904 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.607 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.7 OUTLIER -71.64 -37.38 70.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.387 -0.821 . . . . 0.0 110.072 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -70.04 -39.06 75.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.413 -0.804 . . . . 0.0 110.23 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -67.03 -35.49 80.0 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 0.0 110.24 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 104' ' ' GLU . 89.8 t -70.79 -40.11 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.315 -0.866 . . . . 0.0 110.131 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.82 -31.37 72.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.177 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.7 m -79.56 -35.92 39.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.382 -0.824 . . . . 0.0 110.268 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.68 -40.24 84.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.382 -0.824 . . . . 0.0 110.168 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.478 HD11 HG12 ' A' ' 108' ' ' VAL . 55.4 mt -61.68 -28.58 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.311 -0.868 . . . . 0.0 110.147 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.9 37.56 25.53 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -12.08 61.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.426 -1.044 . . . . 0.0 110.458 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.07 46.25 22.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.224 -0.922 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.796 HD11 HD22 ' A' ' 144' ' ' LEU . 13.8 mt -97.52 127.77 43.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.479 -0.763 . . . . 0.0 110.064 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.7 p -60.91 157.93 14.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -0.854 . . . . 0.0 110.187 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.97 -27.88 68.59 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.301 -0.874 . . . . 0.0 110.18 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.99 -29.83 69.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.469 -0.77 . . . . 0.0 110.175 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.36 -51.42 20.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.356 -0.84 . . . . 0.0 110.093 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.78 -28.85 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.453 -0.779 . . . . 0.0 109.879 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.42 -40.07 77.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.46 -0.775 . . . . 0.0 110.037 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -73.4 -29.12 62.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.387 -0.82 . . . . 0.0 110.088 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.544 ' O ' HG23 ' A' ' 128' ' ' VAL . 3.8 mtm -78.04 -38.77 43.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.426 -0.796 . . . . 0.0 110.1 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.523 HD21 HD22 ' A' ' 105' ' ' LEU . 20.4 mt -66.08 -41.4 90.75 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.368 -0.833 . . . . 0.0 110.124 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -32.9 67.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.487 -0.758 . . . . 0.0 110.162 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -79.51 -38.14 35.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 0.0 110.182 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 124' ' ' MET . 67.0 t -81.08 -55.45 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.4 -0.813 . . . . 0.0 110.033 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 t -66.26 147.71 52.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.358 -0.839 . . . . 0.0 110.186 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -132.77 31.18 3.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.339 -0.851 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.47 46.23 5.57 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.7 t -121.7 -51.46 2.04 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.382 -1.07 . . . . 0.0 110.209 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 128.19 -41.47 1.57 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -104.86 153.81 20.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.386 -1.067 . . . . 0.0 110.176 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.543 HG23 HG12 ' A' ' 128' ' ' VAL . 88.8 mt -133.33 141.92 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.838 . . . . 0.0 110.167 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -80.59 142.2 34.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.447 -0.783 . . . . 0.0 110.166 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.615 HD13 ' HB3' ' A' ' 89' ' ' PHE . 5.9 pt -79.7 -16.56 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.352 -0.842 . . . . 0.0 110.575 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -59.7 -50.0 75.56 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.215 -0.928 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -70.7 -36.94 73.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.194 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.607 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -71.33 -43.15 67.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.401 -0.812 . . . . 0.0 110.033 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.54 70.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.361 -0.837 . . . . 0.0 110.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.86 -33.45 59.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.836 . . . . 0.0 110.127 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.485 HD13 ' SD ' ' A' ' 124' ' ' MET . 8.3 mt -68.62 -38.32 80.45 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.455 -0.778 . . . . 0.0 110.091 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 116' ' ' LEU . 84.4 mt -79.12 -63.53 1.4 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.459 -0.776 . . . . 0.0 110.143 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.5 t 52.31 44.97 29.28 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.356 -0.84 . . . . 0.0 110.524 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.253 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.154 0.502 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.12 -178.59 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.348 -0.845 . . . . 0.0 110.417 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -126.99 165.8 18.76 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.396 -0.815 . . . . 0.0 110.149 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.576 HD22 ' HE2' ' A' ' 12' ' ' PHE . 33.2 mt -65.94 133.68 51.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.318 -0.864 . . . . 0.0 110.312 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.557 ' O ' HD12 ' A' ' 9' ' ' ILE . 12.1 p -86.57 172.85 9.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.467 -0.771 . . . . 0.0 109.976 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.71 -35.71 73.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.272 -0.893 . . . . 0.0 110.235 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -67.63 -40.95 84.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 0.0 109.959 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 29.0 mm-40 -68.48 -44.85 73.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.437 -0.789 . . . . 0.0 110.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 5' ' ' THR . 12.4 mt -64.13 -28.56 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.357 -0.839 . . . . 0.0 110.008 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -42.12 70.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.393 -0.817 . . . . 0.0 110.022 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -61.67 -48.73 79.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.431 -0.793 . . . . 0.0 110.162 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.678 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 26.3 m-85 -60.15 -39.33 85.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.18 -39.18 81.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.305 -0.872 . . . . 0.0 110.181 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.65 -53.73 46.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.36 -0.837 . . . . 0.0 110.11 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.28 -35.91 81.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.0 110.081 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -66.68 -43.55 84.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.399 -0.813 . . . . 0.0 109.97 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.88 66.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.403 -0.811 . . . . 0.0 110.028 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 15' ' ' ALA . 16.0 mt -66.02 -14.47 61.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.28 -0.888 . . . . 0.0 110.321 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.74 ' O ' HG22 ' A' ' 27' ' ' ILE . 89.7 m-85 -130.79 36.87 3.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.201 -0.937 . . . . 0.0 110.594 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 20' ' ' ASP . 6.1 p30 -101.87 26.3 7.66 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.945 . . . . 0.0 110.402 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -21.88 52.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 110.23 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.58 -27.51 66.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.379 -0.826 . . . . 0.0 110.375 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -155.09 -78.08 0.1 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -168.36 -58.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.218 -0.926 . . . . 0.0 110.085 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.4 35.05 2.9 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -151.31 144.5 24.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.318 -1.107 . . . . 0.0 110.213 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.74 HG22 ' O ' ' A' ' 19' ' ' PHE . 45.1 pt -121.24 156.09 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 110.169 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.5 m -84.41 159.96 20.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.348 -0.845 . . . . 0.0 110.258 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -60.28 -25.77 65.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.408 -0.808 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.6 m -66.24 -40.54 90.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.846 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.1 mt-10 -82.34 -13.63 56.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.414 -0.804 . . . . 0.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 63' ' ' ILE . 36.9 tp -57.94 -50.14 74.39 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.181 -0.949 . . . . 0.0 110.385 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.15 74.15 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.388 -0.82 . . . . 0.0 110.344 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 m -67.66 -35.81 79.56 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.334 -0.854 . . . . 0.0 110.039 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 31' ' ' GLU . 72.0 t -62.55 -41.07 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.9 mtt -66.59 -39.02 88.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.401 -0.812 . . . . 0.0 110.017 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -62.76 -31.74 72.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.338 -0.851 . . . . 0.0 110.058 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -35.17 56.97 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.394 -0.816 . . . . 0.0 110.143 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.16 -21.02 64.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.321 -0.862 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.26 35.83 0.91 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.8 mt -123.3 174.11 7.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.388 -1.066 . . . . 0.0 110.197 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -167.2 64.77 0.75 Allowed Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.382 -0.823 . . . . 0.0 110.074 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.28 136.96 25.13 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.797 1.42 . . . . 0.0 110.498 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.631 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.4 m -65.95 179.27 0.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.426 -0.796 . . . . 0.0 110.06 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.3 -28.5 70.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.259 -0.901 . . . . 0.0 109.945 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.05 -43.27 75.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.403 -0.811 . . . . 0.0 110.108 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.96 -34.25 73.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.388 -0.82 . . . . 0.0 109.883 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 44' ' ' SER . 57.4 t -70.53 -38.23 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.486 -0.759 . . . . 0.0 109.835 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -64.03 -40.98 97.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.408 -0.808 . . . . 0.0 109.832 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.93 -49.57 75.63 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.478 -0.764 . . . . 0.0 110.024 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.564 HD21 ' OE1' ' A' ' 75' ' ' GLN . 5.4 mp -61.58 -43.47 98.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.34 -0.85 . . . . 0.0 109.871 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.9 mtt -68.06 -29.18 68.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.465 -0.772 . . . . 0.0 109.869 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -65.59 -37.75 87.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.402 -0.811 . . . . 0.0 109.963 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -73.05 -39.64 65.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.383 -0.823 . . . . 0.0 109.922 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 57' ' ' VAL . 14.2 mt -75.59 -62.99 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.487 -0.758 . . . . 0.0 109.852 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.6 102.4 0.33 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.385 -0.822 . . . . 0.0 110.15 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 55' ' ' ILE . 63.4 t -91.83 -58.67 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.335 -0.853 . . . . 0.0 110.133 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -103.15 26.59 8.07 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.393 -0.817 . . . . 0.0 110.294 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.85 -31.89 7.42 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -123.65 136.28 54.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.292 -1.122 . . . . 0.0 110.312 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.401 ' CD2' HG23 ' A' ' 55' ' ' ILE . 4.5 t60 -167.92 116.79 0.77 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.452 -0.78 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -85.32 123.38 30.73 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.376 -0.828 . . . . 0.0 109.861 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.709 ' CD1' HD22 ' A' ' 32' ' ' LEU . 72.4 mt -79.94 112.27 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.281 -0.887 . . . . 0.0 110.307 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.87 160.19 20.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.426 -0.796 . . . . 0.0 109.862 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.3 t80 -53.7 -27.85 30.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.313 -0.867 . . . . 0.0 110.488 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.9 p -71.71 -51.69 21.64 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.336 -0.853 . . . . 0.0 110.02 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.12 -34.16 77.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.438 -0.789 . . . . 0.0 110.056 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.48 -48.45 72.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.337 -0.852 . . . . 0.0 110.217 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.732 HD11 ' CE2' ' A' ' 65' ' ' PHE . 43.8 mt -60.46 -35.64 76.33 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.305 -0.872 . . . . 0.0 110.112 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.97 -48.95 56.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.352 -0.843 . . . . 0.0 110.107 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.473 HD13 HD11 ' A' ' 55' ' ' ILE . 30.5 mt -62.98 -36.33 83.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.394 -0.817 . . . . 0.0 109.997 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.728 ' O ' HD12 ' A' ' 76' ' ' LEU . 81.1 mmm -65.43 -42.37 92.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.493 -0.754 . . . . 0.0 110.093 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -61.99 -37.14 83.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.344 -0.848 . . . . 0.0 110.176 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -70.14 -29.8 66.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.462 -0.773 . . . . 0.0 110.12 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.564 ' OE1' HD21 ' A' ' 51' ' ' LEU . 36.1 mt-30 -91.14 -30.13 16.88 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.436 -0.79 . . . . 0.0 110.217 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -77.52 -25.99 50.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.359 -0.838 . . . . 0.0 110.282 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -65.41 170.49 4.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.214 -0.929 . . . . 0.0 110.173 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 t -126.34 143.4 51.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.317 -0.864 . . . . 0.0 110.322 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -109.93 -166.82 1.13 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.323 -0.861 . . . . 0.0 110.183 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.89 130.38 35.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.323 -0.86 . . . . 0.0 110.103 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.4 p -73.1 -26.4 61.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.382 -0.824 . . . . 0.0 110.217 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -55.96 -31.2 62.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.258 -0.901 . . . . 0.0 110.278 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.61 -46.28 90.87 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.298 -0.877 . . . . 0.0 110.114 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.26 -50.02 71.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 109.994 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -32.85 73.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.405 -0.81 . . . . 0.0 110.062 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.99 -38.45 82.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.337 -0.852 . . . . 0.0 110.005 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 91' ' ' VAL . 29.6 mt-10 -63.27 -45.72 90.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.347 -0.846 . . . . 0.0 110.06 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.26 90.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.355 -0.841 . . . . 0.0 110.116 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.66 ' HB3' HD13 ' A' ' 137' ' ' ILE . 7.6 m-85 -63.58 -38.3 90.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.841 . . . . 0.0 110.167 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -33.46 73.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.307 -0.87 . . . . 0.0 110.154 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 87' ' ' GLU . 66.8 t -70.96 -42.18 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.289 -0.882 . . . . 0.0 110.024 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CD2' HG22 ' A' ' 108' ' ' VAL . 8.7 m-85 -65.48 -27.34 68.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.311 -0.868 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.43 176.53 6.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.338 -0.851 . . . . 0.0 110.232 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -89.52 -72.22 0.57 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.336 -0.852 . . . . 0.0 110.244 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -99.54 -73.04 0.64 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.352 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.82 36.85 0.12 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -81.49 -44.12 17.85 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -1.041 . . . . 0.0 110.24 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.58 37.73 8.59 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.3 mt -129.04 102.84 6.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.348 -1.09 . . . . 0.0 110.189 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.6 pt -125.83 160.15 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.372 -0.83 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -79.86 160.4 26.09 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.423 -0.798 . . . . 0.0 110.195 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.48 -28.77 21.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.35 -0.844 . . . . 0.0 110.488 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.79 -53.02 45.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.349 -0.844 . . . . 0.0 110.033 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.807 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.9 mt-10 -62.43 -29.4 70.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.41 -0.806 . . . . 0.0 109.918 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.804 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -69.27 -44.54 71.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.398 -0.814 . . . . 0.0 110.112 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -41.51 98.55 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.4 -0.813 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -63.46 -38.35 90.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -0.814 . . . . 0.0 110.161 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 104' ' ' GLU . 85.6 t -65.43 -44.35 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.36 -0.837 . . . . 0.0 110.028 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 mp -62.25 -29.8 70.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.062 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.7 m -74.51 -43.37 56.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 110.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -42.96 99.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.347 -0.846 . . . . 0.0 110.122 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.05 -23.08 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.424 -0.798 . . . . 0.0 110.145 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.2 23.36 44.8 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.36 105.08 6.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.32 -1.106 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -73.24 63.85 0.75 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.323 -0.86 . . . . 0.0 110.148 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 120' ' ' GLU . 6.2 mt -89.68 149.7 22.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.893 . . . . 0.0 110.173 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.0 p -87.89 159.16 18.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.323 -0.861 . . . . 0.0 110.18 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.53 -25.26 64.36 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.356 -0.84 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.19 -34.98 77.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.361 -0.837 . . . . 0.0 110.147 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HB3' HD22 ' A' ' 116' ' ' LEU . 16.4 mm-40 -69.76 -52.98 20.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.331 -0.855 . . . . 0.0 110.086 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.74 -25.55 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.383 -0.823 . . . . 0.0 110.026 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.99 -44.32 48.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.376 -0.827 . . . . 0.0 110.067 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -26.64 61.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.06 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.586 ' HE1' HD21 ' A' ' 144' ' ' LEU . 3.9 mtp -79.71 -36.14 37.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.317 -0.864 . . . . 0.0 110.236 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.25 -40.51 77.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.391 -0.818 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -65.92 -36.78 84.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 110.281 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -80.09 -30.19 39.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.323 -0.861 . . . . 0.0 110.528 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 124' ' ' MET . 57.5 t -92.45 -59.16 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.312 -0.868 . . . . 0.0 110.348 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 t -57.91 115.04 2.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.345 -0.847 . . . . 0.0 110.38 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -167.89 32.73 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.457 -0.777 . . . . 0.0 110.194 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -125.85 -98.97 1.14 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.6 t -120.48 -72.07 0.71 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -1.069 . . . . 0.0 110.176 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.77 29.41 0.55 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -137.82 158.9 43.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.427 -1.043 . . . . 0.0 110.273 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.457 HG23 HG12 ' A' ' 128' ' ' VAL . 83.0 mt -133.54 149.14 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.408 -0.807 . . . . 0.0 110.133 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -88.6 125.47 34.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.316 -0.865 . . . . 0.0 110.223 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.66 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.5 pt -67.26 -19.0 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.425 -0.797 . . . . 0.0 110.379 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -68.1 -51.08 50.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.222 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -62.72 -36.28 82.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.326 -0.859 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.804 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -70.92 -41.74 70.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.843 . . . . 0.0 110.117 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.46 74.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.4 -0.812 . . . . 0.0 110.152 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.44 -27.65 41.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.334 -0.854 . . . . 0.0 110.173 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.9 mt -71.29 -36.26 71.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.369 -0.832 . . . . 0.0 110.124 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.586 HD21 ' HE1' ' A' ' 124' ' ' MET . 92.7 mt -77.51 -27.23 51.7 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.448 -0.782 . . . . 0.0 110.182 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 64.2 m -61.99 -169.23 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.342 -0.849 . . . . 0.0 110.197 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 2.5 tttt . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.248 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.153 0.502 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.26 29.54 4.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.399 -0.813 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -138.46 128.45 25.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.836 . . . . 0.0 110.228 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.581 HD22 ' HE2' ' A' ' 12' ' ' PHE . 35.4 mt -72.26 127.83 33.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.36 -0.837 . . . . 0.0 110.207 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -80.57 175.61 10.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 110.056 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -62.51 -36.91 84.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.846 . . . . 0.0 110.192 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.93 -41.9 86.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.264 -0.897 . . . . 0.0 110.071 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 14.4 mm-40 -68.67 -43.68 75.64 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.425 -0.797 . . . . 0.0 110.062 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.5 mt -66.72 -32.57 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.34 -34.64 72.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.37 -0.831 . . . . 0.0 110.128 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -67.35 -45.57 75.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.096 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.581 ' HE2' HD22 ' A' ' 4' ' ' LEU . 23.9 m-85 -63.17 -41.4 99.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 109.995 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.5 ttmt -59.26 -38.89 81.2 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.407 -0.808 . . . . 0.0 110.207 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.08 -53.66 46.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.328 -0.858 . . . . 0.0 110.097 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.46 -34.87 78.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.38 -0.825 . . . . 0.0 110.242 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -69.31 -40.46 77.63 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.337 -0.852 . . . . 0.0 110.149 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.01 73.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.446 -0.784 . . . . 0.0 110.145 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.71 -39.74 94.98 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 110.102 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -101.78 25.04 9.03 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.409 -0.807 . . . . 0.0 110.152 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -95.49 75.81 3.31 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.409 -0.807 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 -17.11 12.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.432 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -54.82 -71.02 0.09 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.238 -0.914 . . . . 0.0 110.587 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -126.64 -76.38 0.58 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.246 -0.909 . . . . 0.0 110.463 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -152.58 -43.03 0.1 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 0.0 110.412 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.54 54.38 0.69 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -159.88 139.64 11.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.287 -1.125 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -125.16 158.84 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.86 . . . . 0.0 110.158 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.9 m -80.84 158.52 25.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 110.18 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -62.27 -27.18 68.84 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.386 -0.821 . . . . 0.0 110.317 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -64.34 -41.82 96.58 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.323 -0.86 . . . . 0.0 110.16 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.823 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.7 mt-10 -78.49 -15.65 58.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.289 -0.882 . . . . 0.0 110.472 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.6 tp -54.18 -55.15 30.72 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.257 -0.902 . . . . 0.0 110.55 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.55 79.38 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.273 -0.892 . . . . 0.0 110.204 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.1 m -63.56 -39.64 94.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.381 -0.824 . . . . 0.0 110.014 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 31' ' ' GLU . 84.7 t -62.2 -43.87 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.431 -0.793 . . . . 0.0 109.968 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.3 mtt -62.77 -31.43 72.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.497 -0.752 . . . . 0.0 109.948 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -69.57 -38.62 77.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.427 -0.796 . . . . 0.0 110.242 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -34.09 62.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.35 -0.844 . . . . 0.0 110.294 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.1 mt -60.97 -25.06 66.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.317 -0.864 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.95 33.23 1.56 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.451 HD11 HD21 ' A' ' 76' ' ' LEU . 47.2 mt -123.3 -177.24 3.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.407 -1.055 . . . . 0.0 110.033 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t -168.05 68.45 0.81 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.41 -0.807 . . . . 0.0 110.22 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.64 137.29 24.78 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.749 1.394 . . . . 0.0 110.264 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.8 167.06 2.97 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.267 -0.895 . . . . 0.0 110.144 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -27.72 63.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 110.117 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.43 66.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.436 -0.79 . . . . 0.0 109.912 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.69 -37.32 86.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.357 -0.84 . . . . 0.0 109.997 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.05 -44.4 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.387 -0.82 . . . . 0.0 109.914 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -32.13 72.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.315 -0.865 . . . . 0.0 110.03 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -67.68 -50.62 56.82 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.38 -0.825 . . . . 0.0 109.933 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.84 -40.28 96.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.398 -0.814 . . . . 0.0 109.885 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mtt -66.81 -35.39 79.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.401 -0.812 . . . . 0.0 110.026 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -62.65 -40.81 98.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.39 -0.819 . . . . 0.0 109.92 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.6 -36.75 83.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.443 -0.786 . . . . 0.0 109.832 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.8 mt -80.14 -58.83 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.454 -0.779 . . . . 0.0 109.992 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.68 95.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.397 -0.814 . . . . 0.0 110.376 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 55' ' ' ILE . 95.1 t -103.6 -64.4 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.415 -0.803 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -88.17 -32.13 18.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.433 -0.792 . . . . 0.0 110.244 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.33 -78.05 0.19 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -87.26 44.48 1.18 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.28 -1.129 . . . . 0.0 110.998 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 55' ' ' ILE . 9.9 t-80 -63.81 110.36 2.04 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.222 -0.923 . . . . 0.0 110.231 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -80.33 142.56 34.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 110.02 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.42 ' CD1' HD13 ' A' ' 55' ' ' ILE . 82.7 mt -95.75 111.1 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.36 -0.838 . . . . 0.0 110.335 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.29 160.15 24.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.481 -0.762 . . . . 0.0 109.924 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.529 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.6 t80 -56.79 -28.68 61.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.27 -0.894 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -52.63 26.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.427 -0.796 . . . . 0.0 110.041 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' O ' HD12 ' A' ' 71' ' ' LEU . 7.6 mm-40 -65.78 -35.14 79.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.382 -0.824 . . . . 0.0 109.98 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.47 -51.72 67.52 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.393 -0.817 . . . . 0.0 109.935 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 65' ' ' PHE . 52.1 mt -56.76 -41.11 77.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.842 . . . . 0.0 110.075 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.31 -49.18 58.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.442 -0.786 . . . . 0.0 109.911 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.57 HD13 HD11 ' A' ' 55' ' ' ILE . 6.5 mt -62.39 -33.91 75.69 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.438 -0.789 . . . . 0.0 110.029 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.558 ' O ' HD12 ' A' ' 76' ' ' LEU . 76.3 mmm -70.56 -44.03 68.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.428 -0.795 . . . . 0.0 110.039 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -60.23 -30.79 69.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 110.006 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -79.97 -30.18 39.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.401 -0.812 . . . . 0.0 110.11 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -89.25 -27.56 20.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.315 -0.866 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 72' ' ' MET . 5.7 mt -89.25 60.77 5.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.34 -0.85 . . . . 0.0 110.17 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 167.69 20.79 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.301 -0.875 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.3 m -71.94 65.16 0.53 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.369 -0.832 . . . . 0.0 110.207 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.408 ' HA ' ' CB ' ' A' ' 83' ' ' GLN . 42.2 p-10 -118.85 81.7 1.74 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.389 -0.819 . . . . 0.0 110.276 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.6 -164.92 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.293 -0.879 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 p -61.23 -27.05 68.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.4 -0.812 . . . . 0.0 110.27 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.32 -55.09 8.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.372 -0.83 . . . . 0.0 110.231 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.408 ' CB ' ' HA ' ' A' ' 79' ' ' ASN . 8.7 mm-40 -57.11 -37.54 72.1 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.389 -0.819 . . . . 0.0 110.22 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.39 -45.0 95.12 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.328 -0.858 . . . . 0.0 109.978 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 144' ' ' LEU . 0.6 OUTLIER -62.52 -42.36 99.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 109.917 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.85 -35.84 77.61 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.83 . . . . 0.0 109.874 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -50.79 70.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.368 -0.833 . . . . 0.0 109.908 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.42 94.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 110.011 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.731 ' HB3' HG21 ' A' ' 137' ' ' ILE . 10.1 m-85 -61.45 -33.46 73.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.418 -0.801 . . . . 0.0 110.064 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -43.24 90.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.423 -0.798 . . . . 0.0 110.076 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.09 -38.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.348 -0.845 . . . . 0.0 109.965 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.439 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 7.0 m-85 -68.28 -26.93 65.9 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.403 -0.811 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -78.31 152.33 32.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.905 . . . . 0.0 110.16 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.17 -52.94 3.03 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.375 -0.828 . . . . 0.0 110.217 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -64.13 -35.58 81.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.873 . . . . 0.0 110.144 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.5 48.6 3.43 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.91 20.32 6.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -1.054 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.23 47.95 88.3 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 99' ' ' LEU . 20.0 mt -141.76 110.69 6.22 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -1.129 . . . . 0.0 110.247 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.429 HD11 HD12 ' A' ' 105' ' ' LEU . 35.9 pt -132.39 160.14 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.387 -0.821 . . . . 0.0 110.191 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -79.81 160.32 26.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.395 -0.815 . . . . 0.0 110.315 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.39 -34.53 48.42 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.376 -0.827 . . . . 0.0 110.437 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.15 -53.01 61.44 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.412 -0.805 . . . . 0.0 110.061 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 108' ' ' VAL . 53.2 mt-10 -62.36 -32.65 73.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.33 -0.856 . . . . 0.0 109.974 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.728 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -69.05 -43.41 74.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.419 -0.801 . . . . 0.0 110.164 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -61.27 -38.35 86.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.319 -0.863 . . . . 0.0 110.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -68.89 -33.07 73.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 110.052 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 104' ' ' GLU . 79.8 t -72.53 -44.56 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.389 -0.819 . . . . 0.0 109.942 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.66 -33.64 74.31 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.414 -0.804 . . . . 0.0 110.155 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.0 m -79.57 -30.09 41.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.301 -0.875 . . . . 0.0 110.2 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -73.59 -40.84 63.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.341 -0.849 . . . . 0.0 110.181 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.2 mt -62.49 -26.27 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.344 -0.848 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.38 29.15 31.09 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.74 142.73 54.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.403 -1.057 . . . . 0.0 110.106 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -80.2 62.88 4.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -0.865 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.2 mt -124.96 131.23 53.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 0.0 110.236 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.2 p -84.26 -166.97 1.59 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.394 -0.816 . . . . 0.0 110.203 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.4 -33.69 42.46 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.361 -0.837 . . . . 0.0 110.122 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.47 98.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.388 -0.82 . . . . 0.0 110.108 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.48 -51.42 67.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.4 HG12 HD12 ' A' ' 125' ' ' LEU . 64.6 t -60.34 -26.85 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.41 -0.806 . . . . 0.0 110.104 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.5 -47.14 67.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 110.077 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -68.22 -32.51 72.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.355 -0.841 . . . . 0.0 110.15 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 128' ' ' VAL . 6.4 mtp -77.01 -28.62 55.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.379 -0.826 . . . . 0.0 110.169 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.4 HD12 HG12 ' A' ' 121' ' ' VAL . 5.3 mt -70.19 -45.19 67.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -68.04 -30.69 69.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.338 -0.851 . . . . 0.0 110.308 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -80.07 -27.34 39.35 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.326 -0.859 . . . . 0.0 110.236 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.627 HG12 HG23 ' A' ' 135' ' ' ILE . 65.5 t -95.98 -37.64 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.264 -0.898 . . . . 0.0 110.237 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.5 t -61.08 114.77 3.29 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.396 -0.815 . . . . 0.0 110.204 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -100.33 -44.94 5.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.348 -0.845 . . . . 0.0 110.335 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 132' ' ' SER . . . -117.86 9.96 14.05 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 131' ' ' GLY . 1.3 t 68.76 -3.42 1.43 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.353 -1.086 . . . . 0.0 111.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -88.36 -112.16 1.13 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -85.67 153.17 22.54 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.419 -1.048 . . . . 0.0 110.312 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.627 HG23 HG12 ' A' ' 128' ' ' VAL . 86.1 mt -116.18 148.43 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.427 -0.795 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.26 118.96 28.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.336 -0.853 . . . . 0.0 110.193 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.731 HG21 ' HB3' ' A' ' 89' ' ' PHE . 24.2 pt -61.63 -18.92 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.432 -0.793 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -56.49 21.14 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.206 -0.934 . . . . 0.0 110.341 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -63.61 -40.95 98.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.306 -0.872 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.728 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.91 -36.73 84.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.277 -0.889 . . . . 0.0 110.132 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -70.43 -27.62 64.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 110.223 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.69 -38.5 64.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.316 -0.865 . . . . 0.0 110.179 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.08 -34.79 68.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.335 -0.853 . . . . 0.0 110.219 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 85' ' ' LEU . 91.9 mt -79.98 -10.28 59.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.85 . . . . 0.0 110.598 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.6 t -58.18 -65.64 0.61 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.184 -0.948 . . . . 0.0 110.299 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.226 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.269 0.557 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 p -162.32 178.04 9.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.339 -0.851 . . . . 0.0 110.137 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.0 t30 56.43 172.09 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.371 -0.83 . . . . 0.0 110.382 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.556 HD22 ' HE2' ' A' ' 12' ' ' PHE . 11.6 mt -59.72 154.92 16.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.296 -0.877 . . . . 0.0 110.323 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 9' ' ' ILE . 18.4 p -95.95 172.45 8.0 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.363 -0.836 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.47 -39.96 85.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.386 -0.821 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.84 -46.42 81.98 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.41 -0.806 . . . . 0.0 110.015 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.403 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 93.6 mt-30 -67.12 -41.49 86.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.327 -0.858 . . . . 0.0 110.072 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 5' ' ' THR . 40.3 mt -67.03 -32.88 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.397 -0.815 . . . . 0.0 109.914 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.58 73.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.39 -0.819 . . . . 0.0 109.935 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.0 -50.96 52.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.394 -0.816 . . . . 0.0 110.092 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' HE2' HD22 ' A' ' 4' ' ' LEU . 25.1 m-85 -60.48 -38.76 85.27 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.391 -0.818 . . . . 0.0 109.986 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -60.5 -39.83 89.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.389 -0.82 . . . . 0.0 110.039 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -61.89 -50.08 73.64 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.405 -0.809 . . . . 0.0 109.972 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -70.14 -27.72 64.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.399 -0.813 . . . . 0.0 110.004 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.736 ' CE1' HG23 ' A' ' 27' ' ' ILE . 7.4 t80 -75.72 -43.16 48.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.35 -0.844 . . . . 0.0 110.037 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.19 -29.75 69.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.374 -0.829 . . . . 0.0 110.104 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 15' ' ' ALA . 17.5 mt -62.01 -41.37 97.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.304 -0.873 . . . . 0.0 110.178 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -90.7 -28.85 18.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.372 -0.83 . . . . 0.0 110.241 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.14 118.54 8.06 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.329 -0.857 . . . . 0.0 109.947 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -60.14 -89.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.31 -0.869 . . . . 0.0 110.358 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -174.25 34.45 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.11 -0.994 . . . . 0.0 110.132 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -84.93 -47.33 10.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.265 -0.897 . . . . 0.0 110.184 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -168.88 -39.55 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.381 -0.825 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.33 43.34 0.03 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 p -134.44 145.34 48.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -1.09 . . . . 0.0 110.226 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.736 HG23 ' CE1' ' A' ' 16' ' ' PHE . 44.4 pt -119.57 158.18 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.364 -0.835 . . . . 0.0 110.223 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -81.59 160.13 23.89 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -65.59 -27.46 68.43 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.356 -0.84 . . . . 0.0 110.188 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.6 t -61.53 -30.87 70.91 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.289 -0.882 . . . . 0.0 110.159 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 26.1 mt-10 -93.11 -16.23 25.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.413 -0.804 . . . . 0.0 110.356 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD22 ' CD1' ' A' ' 63' ' ' ILE . 67.7 tp -53.58 -53.57 49.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.231 -0.918 . . . . 0.0 110.452 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.569 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -59.11 -40.23 84.72 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 110.224 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.1 m -68.98 -38.3 79.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.295 -0.878 . . . . 0.0 110.079 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.4 t -62.58 -36.62 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.379 -0.825 . . . . 0.0 109.795 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 42.4 mtt -69.45 -37.15 77.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.361 -0.837 . . . . 0.0 109.788 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -65.87 -36.25 82.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.422 -0.799 . . . . 0.0 110.113 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -69.25 -37.76 78.1 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.367 -0.833 . . . . 0.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.8 mt -63.92 -27.33 69.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.365 -0.834 . . . . 0.0 110.2 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.34 40.08 0.31 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.5 mt -128.55 176.37 7.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.307 -1.114 . . . . 0.0 110.132 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -167.23 63.7 0.7 Allowed Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.349 -0.844 . . . . 0.0 110.192 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.9 137.99 25.26 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 O-C-N 123.771 1.406 . . . . 0.0 110.431 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.73 171.33 1.19 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.428 -0.795 . . . . 0.0 110.178 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -59.69 -27.47 66.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.32 -0.862 . . . . 0.0 110.179 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.63 76.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.338 -0.851 . . . . 0.0 110.052 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -41.49 95.41 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.402 -0.812 . . . . 0.0 110.066 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 33' ' ' ALA . 60.4 t -62.59 -38.67 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.366 -0.834 . . . . 0.0 109.913 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -62.74 -40.84 98.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.364 -0.835 . . . . 0.0 110.029 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.92 -48.75 79.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.41 -0.806 . . . . 0.0 110.091 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.37 -38.79 88.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.347 -0.845 . . . . 0.0 110.002 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.4 mtt -69.71 -29.76 67.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.0 110.014 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -67.45 -39.22 85.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 110.097 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -72.36 -35.65 68.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.412 -0.805 . . . . 0.0 110.06 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.531 HD11 HD13 ' A' ' 71' ' ' LEU . 4.8 mt -83.04 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.454 -0.779 . . . . 0.0 109.996 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.612 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 38.1 t70 -50.48 -60.27 3.18 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.326 -0.859 . . . . 0.0 110.518 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.612 ' HB ' ' O ' ' A' ' 56' ' ' ASP . 60.7 t 70.57 -19.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.678 -0.639 . . . . 0.0 110.99 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' A' ' 56' ' ' ASP . 1.2 t0 -163.74 -65.88 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 110.253 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.48 35.76 0.03 OUTLIER Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -178.88 92.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.272 -1.134 . . . . 0.0 109.952 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 55' ' ' ILE . 4.9 t60 -154.57 109.22 3.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.295 -0.878 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -80.64 135.71 36.09 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.354 -0.841 . . . . 0.0 109.987 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.496 ' CD1' HD22 ' A' ' 32' ' ' LEU . 71.9 mt -89.1 121.68 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.279 -0.888 . . . . 0.0 110.317 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -92.77 160.16 15.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 109.982 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.674 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.8 t80 -55.92 -29.32 59.89 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.365 -0.834 . . . . 0.0 110.357 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -68.84 -54.02 18.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.331 -0.856 . . . . 0.0 110.003 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -66.39 -34.84 78.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.319 -0.863 . . . . 0.0 110.041 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.59 -48.89 77.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 110.033 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.674 HD11 ' CE2' ' A' ' 65' ' ' PHE . 47.4 mt -59.46 -39.84 84.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.289 -0.882 . . . . 0.0 110.196 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.72 77.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 110.048 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.531 HD13 HD11 ' A' ' 55' ' ' ILE . 13.0 mt -61.1 -42.89 99.35 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.354 -0.841 . . . . 0.0 110.026 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.0 mmm -63.01 -35.28 79.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.967 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.9 t -61.95 -45.72 92.43 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.418 -0.801 . . . . 0.0 110.185 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.417 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 10.2 ptt85 -62.11 -38.62 89.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.382 -0.824 . . . . 0.0 109.933 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.417 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 48.9 mt-30 -77.86 -35.87 50.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.482 -0.761 . . . . 0.0 110.234 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 38.8 mt -76.46 -22.4 54.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.374 -0.829 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -58.7 -176.68 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.383 -0.823 . . . . 0.0 110.356 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -83.19 -150.33 0.1 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.377 -0.827 . . . . 0.0 110.173 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 53.88 64.96 1.65 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.27 -0.894 . . . . 0.0 110.43 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -154.94 102.69 2.36 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.361 -0.837 . . . . 0.0 110.168 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -78.62 -42.65 28.29 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.346 -0.846 . . . . 0.0 110.255 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.81 -38.35 75.39 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.326 -0.859 . . . . 0.0 110.389 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.47 -31.39 70.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.415 -0.803 . . . . 0.0 109.943 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.69 -43.05 90.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.47 -0.768 . . . . 0.0 110.041 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.425 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -65.03 -43.64 91.71 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.997 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.51 -32.67 74.2 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.412 -0.805 . . . . 0.0 109.988 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.4 tp10 -66.28 -47.02 75.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.841 . . . . 0.0 109.992 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.86 -45.6 91.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.322 -0.861 . . . . 0.0 110.086 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HB3' HD13 ' A' ' 137' ' ' ILE . 9.5 m-85 -61.66 -33.76 74.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.307 -0.871 . . . . 0.0 110.094 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -41.54 92.54 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.374 -0.829 . . . . 0.0 110.056 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 87' ' ' GLU . 57.7 t -65.36 -33.82 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.354 -0.841 . . . . 0.0 110.0 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -74.87 -27.93 60.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.185 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.77 176.09 9.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.335 -0.853 . . . . 0.0 110.206 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -149.21 50.09 0.97 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.815 . . . . 0.0 110.226 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -166.61 -62.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.404 -0.81 . . . . 0.0 110.157 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.83 -26.89 2.48 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.49 -32.35 71.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -1.071 . . . . 0.0 110.29 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.94 62.13 1.25 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 37.4 mt -136.18 127.04 27.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.344 -1.092 . . . . 0.0 110.162 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 pt -138.77 160.23 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.324 -0.86 . . . . 0.0 110.218 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.8 m -79.77 160.28 26.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.373 -0.829 . . . . 0.0 110.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.86 -34.14 53.02 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.402 -0.811 . . . . 0.0 110.482 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.64 -57.43 11.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.251 -0.906 . . . . 0.0 110.12 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.0 mm-40 -59.4 -28.49 66.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.363 -0.836 . . . . 0.0 110.004 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.932 HD21 ' CE2' ' A' ' 140' ' ' PHE . 16.2 tp -68.77 -46.54 68.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.418 -0.801 . . . . 0.0 110.07 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -65.37 -28.77 69.51 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.42 -43.34 77.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.134 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.731 HG12 HD11 ' A' ' 112' ' ' ILE . 68.5 t -65.88 -41.95 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.299 -0.875 . . . . 0.0 110.002 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 140' ' ' PHE . 1.6 mt -60.69 -35.68 76.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.364 -0.835 . . . . 0.0 110.222 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.4 m -79.97 -30.36 39.74 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.458 -0.776 . . . . 0.0 110.149 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.8 t -74.54 -42.61 58.54 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.282 -0.886 . . . . 0.0 110.162 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.731 HD11 HG12 ' A' ' 108' ' ' VAL . 66.2 mt -60.3 -25.22 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.335 -0.853 . . . . 0.0 110.213 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.84 27.2 38.86 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.03 -16.99 62.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.368 -1.078 . . . . 0.0 110.201 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt 54.93 44.91 27.55 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.271 -0.893 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.12 118.47 31.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.364 -0.835 . . . . 0.0 110.176 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -59.74 166.09 2.75 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.415 -0.803 . . . . 0.0 110.233 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.12 -29.55 69.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.293 -0.88 . . . . 0.0 110.191 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.28 -46.42 88.88 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.342 -0.849 . . . . 0.0 110.052 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.69 -51.86 65.56 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.356 -0.84 . . . . 0.0 110.155 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.61 -27.26 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.37 -0.832 . . . . 0.0 109.955 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.37 -48.9 25.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.332 -0.855 . . . . 0.0 109.981 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.44 -29.23 69.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.1 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.421 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 2.9 mtp -75.6 -37.5 59.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.425 -0.797 . . . . 0.0 110.001 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.49 -32.62 73.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.398 -0.814 . . . . 0.0 110.095 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -39.14 93.57 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.364 -0.835 . . . . 0.0 110.201 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -80.3 -33.19 37.83 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.298 -0.876 . . . . 0.0 110.395 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.58 HG12 HG23 ' A' ' 135' ' ' ILE . 57.4 t -87.53 -60.95 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.869 . . . . 0.0 110.254 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 t -56.92 107.64 0.42 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.353 -0.842 . . . . 0.0 110.412 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -167.63 32.12 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.428 -0.795 . . . . 0.0 110.176 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.9 -104.96 1.98 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -41.25 3.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.346 -1.09 . . . . 0.0 110.275 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -179.41 -38.0 0.07 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 153.7 28.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.356 -1.085 . . . . 0.0 110.112 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.58 HG23 HG12 ' A' ' 128' ' ' VAL . 79.9 mt -121.22 144.76 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.372 -0.83 . . . . 0.0 110.107 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -85.44 130.85 34.49 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.381 -0.825 . . . . 0.0 110.166 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 89' ' ' PHE . 18.6 pt -70.08 -21.24 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.356 -0.84 . . . . 0.0 110.483 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -51.89 67.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.927 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -64.01 -38.41 90.96 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.391 -0.818 . . . . 0.0 110.143 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.932 ' CE2' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -69.84 -41.35 75.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.045 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.67 69.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.867 . . . . 0.0 110.116 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.15 -40.5 59.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.298 -0.876 . . . . 0.0 110.114 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.88 -32.48 74.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.352 -0.842 . . . . 0.0 110.092 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.02 -29.45 39.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -0.834 . . . . 0.0 110.201 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 146' ' ' LYS . 27.7 t -84.08 80.52 9.15 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.378 -0.826 . . . . 0.0 110.227 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 145' ' ' SER . 25.3 pttt . . . . . 0 N--CA 1.503 2.176 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.424 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.5 p . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.185 0.516 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 t -130.75 45.61 2.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.395 -0.816 . . . . 0.0 110.18 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -93.96 -173.73 3.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.312 -0.867 . . . . 0.0 110.243 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.449 HD22 ' HE2' ' A' ' 12' ' ' PHE . 20.7 mt -61.06 126.69 28.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.365 -0.835 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.1 p -73.38 172.52 11.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.431 -0.793 . . . . 0.0 110.17 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.99 -40.1 92.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.412 -0.805 . . . . 0.0 110.199 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -61.93 -47.79 83.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.128 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -61.62 -43.75 98.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.344 -0.848 . . . . 0.0 110.173 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.25 -31.95 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.408 -0.807 . . . . 0.0 109.98 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.0 89.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.332 -0.855 . . . . 0.0 110.008 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.21 -48.4 65.28 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.325 -0.859 . . . . 0.0 110.126 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' HE2' HD22 ' A' ' 4' ' ' LEU . 23.8 m-85 -62.57 -38.18 89.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 0.0 110.025 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 2.9 ttmm -62.59 -39.94 95.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.232 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.48 -49.14 76.57 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.322 -0.861 . . . . 0.0 110.201 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.47 -27.19 65.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 0.0 110.128 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.711 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.0 t80 -74.96 -46.85 32.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.21 -0.932 . . . . 0.0 110.172 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.57 -24.76 64.64 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.413 -0.804 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 18' ' ' LEU . 11.2 mt -63.11 -31.42 72.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.231 -0.918 . . . . 0.0 110.379 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -103.73 -27.7 12.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.31 -0.869 . . . . 0.0 110.41 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -62.34 -85.76 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.27 -0.894 . . . . 0.0 109.971 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt 49.08 38.5 12.98 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.182 -0.949 . . . . 0.0 110.66 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -122.07 19.52 10.78 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.368 -0.832 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.25 32.85 8.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.273 -0.892 . . . . 0.0 110.465 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 29.0 p-10 -132.61 -40.57 0.97 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.426 -0.796 . . . . 0.0 110.558 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.31 31.33 6.89 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 p -148.42 148.62 30.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.31 -1.112 . . . . 0.0 110.177 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.711 HG23 ' CE1' ' A' ' 16' ' ' PHE . 46.1 pt -119.87 157.74 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.438 -0.788 . . . . 0.0 110.182 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -82.06 160.05 23.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.462 -0.774 . . . . 0.0 110.241 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -38.53 80.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.863 . . . . 0.0 110.339 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -55.79 -25.72 42.63 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -0.9 . . . . 0.0 110.349 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.812 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.2 mt-10 -95.05 -16.32 22.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.307 -0.871 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 63' ' ' ILE . 63.8 tp -58.5 -49.95 75.53 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.222 -0.924 . . . . 0.0 110.346 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.79 85.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.374 -0.829 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.5 m -68.47 -40.34 81.06 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.363 -0.836 . . . . 0.0 110.092 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.8 t -60.87 -34.37 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.83 . . . . 0.0 109.89 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.1 mtt -72.86 -34.72 66.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.436 -0.79 . . . . 0.0 109.798 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -65.32 -35.51 81.21 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.513 -0.742 . . . . 0.0 110.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.6 m -80.2 -33.24 38.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.421 -0.799 . . . . 0.0 110.229 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.5 -22.14 66.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.36 -0.838 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.67 31.2 1.68 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.4 mt -122.18 178.33 4.97 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.307 -1.113 . . . . 0.0 110.021 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 p -167.32 64.78 0.74 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.287 -0.883 . . . . 0.0 110.38 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.5 137.74 25.85 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 O-C-N 123.7 1.369 . . . . 0.0 110.417 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.6 m -61.98 172.81 1.24 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.388 -0.82 . . . . 0.0 110.113 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -27.65 68.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.383 -0.823 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.72 -43.43 75.96 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.832 . . . . 0.0 110.117 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -67.79 -36.38 80.34 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.351 -0.843 . . . . 0.0 109.965 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 44' ' ' SER . 67.1 t -67.71 -40.23 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.368 -0.832 . . . . 0.0 109.945 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -61.88 -41.4 97.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.376 -0.827 . . . . 0.0 110.055 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.89 -48.37 82.11 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.381 -0.825 . . . . 0.0 110.107 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 55' ' ' ILE . 4.5 mp -62.28 -44.19 97.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.402 -0.811 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mtt -67.86 -29.11 68.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -0.824 . . . . 0.0 109.952 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -66.44 -37.08 84.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.432 -0.792 . . . . 0.0 109.985 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -75.61 -31.39 59.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.402 -0.811 . . . . 0.0 109.921 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 51' ' ' LEU . 10.8 mt -87.26 -62.23 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.546 -0.721 . . . . 0.0 109.981 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.22 110.24 3.41 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.411 -0.806 . . . . 0.0 110.248 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 55' ' ' ILE . 75.6 t -113.2 -60.89 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.358 -0.839 . . . . 0.0 109.926 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -100.59 34.37 2.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.816 . . . . 0.0 110.056 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.46 24.42 65.8 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -164.11 78.33 0.38 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.333 -1.098 . . . . 0.0 110.197 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 55' ' ' ILE . 9.4 t-80 -135.88 115.02 12.36 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.376 -0.828 . . . . 0.0 110.149 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -90.74 132.65 35.7 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.41 -0.806 . . . . 0.0 110.169 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.433 ' CD1' HD22 ' A' ' 32' ' ' LEU . 76.7 mt -82.17 131.3 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.412 -0.805 . . . . 0.0 110.306 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -94.23 160.11 14.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.391 -0.818 . . . . 0.0 110.046 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.638 ' CE2' HD11 ' A' ' 69' ' ' LEU . 22.8 t80 -57.49 -33.15 67.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.308 -0.87 . . . . 0.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.9 t -66.49 -54.2 26.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.399 -0.813 . . . . 0.0 110.075 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.69 -35.18 78.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.342 -0.849 . . . . 0.0 110.035 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -64.93 -45.4 85.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.34 -0.85 . . . . 0.0 110.129 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 65' ' ' PHE . 50.4 mt -59.63 -38.68 81.99 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.319 -0.863 . . . . 0.0 110.106 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.51 -50.79 41.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.432 -0.793 . . . . 0.0 109.971 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.36 -31.33 70.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.313 -0.867 . . . . 0.0 109.894 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.433 ' HB3' ' HE3' ' A' ' 72' ' ' MET . 73.4 mmm -70.19 -41.53 73.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 109.96 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.583 ' HA ' HD12 ' A' ' 76' ' ' LEU . 5.3 t -60.16 -39.76 87.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.411 -0.806 . . . . 0.0 110.053 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.72 -25.84 44.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.428 -0.795 . . . . 0.0 110.155 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.493 ' HG3' HD21 ' A' ' 51' ' ' LEU . 13.7 mm-40 -85.1 -22.48 28.89 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.364 -0.835 . . . . 0.0 110.326 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 73' ' ' SER . 13.5 mt -58.52 -28.17 65.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.283 -0.886 . . . . 0.0 110.345 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.52 46.92 0.92 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.394 -0.816 . . . . 0.0 110.215 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.3 p -69.21 -176.88 0.98 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.397 -0.814 . . . . 0.0 110.204 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -104.4 -166.76 1.28 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.328 -0.857 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.17 125.46 31.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.353 -0.842 . . . . 0.0 110.149 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.37 -35.0 58.91 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.833 . . . . 0.0 110.182 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.7 -35.4 66.02 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.345 -0.847 . . . . 0.0 110.296 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.65 -43.15 99.55 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.349 -0.845 . . . . 0.0 110.112 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.81 -43.9 97.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.347 -0.846 . . . . 0.0 110.137 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -45.85 92.36 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.346 -0.846 . . . . 0.0 110.08 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.11 -29.96 71.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.335 -0.853 . . . . 0.0 109.997 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -46.27 62.4 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.41 -0.806 . . . . 0.0 109.993 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.94 -44.82 95.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.396 -0.815 . . . . 0.0 110.088 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.635 ' HB3' HD13 ' A' ' 137' ' ' ILE . 10.3 m-85 -63.39 -31.09 72.15 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.452 -0.78 . . . . 0.0 110.115 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -66.58 -42.61 86.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.359 -0.838 . . . . 0.0 110.203 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.53 -47.89 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.353 -0.842 . . . . 0.0 109.99 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.38 -27.37 68.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.334 -0.854 . . . . 0.0 110.205 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 95' ' ' ASN . 23.6 t0 -67.57 -30.32 69.91 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.316 -0.865 . . . . 0.0 110.187 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.93 -66.41 0.16 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.573 -0.704 . . . . 0.0 110.486 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ASP . 19.0 m120 -55.52 -70.1 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.272 -0.893 . . . . 0.0 110.348 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.47 -28.39 1.07 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -61.31 -58.91 6.33 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.371 -1.076 . . . . 0.0 110.193 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.0 50.9 0.19 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 81.6 mt -121.47 104.7 9.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.242 -1.152 . . . . 0.0 110.155 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.9 pt -126.14 159.77 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.351 -0.843 . . . . 0.0 110.306 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 t -79.89 160.3 26.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.25 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.9 -28.53 23.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.351 -0.843 . . . . 0.0 110.446 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.3 -53.07 49.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 0.0 110.108 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 108' ' ' VAL . 10.4 mt-10 -62.88 -33.14 74.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.419 -0.8 . . . . 0.0 110.108 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.803 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.1 tp -67.5 -40.29 85.2 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.359 -0.838 . . . . 0.0 109.97 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -68.23 -37.22 80.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.362 -0.836 . . . . 0.0 110.258 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -67.44 -31.48 71.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.376 -0.828 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 104' ' ' GLU . 98.6 t -74.95 -39.08 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.388 -0.82 . . . . 0.0 110.14 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.7 -40.83 98.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.397 -0.815 . . . . 0.0 110.234 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.5 m -71.63 -32.39 67.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -68.14 -43.97 77.11 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.31 -0.869 . . . . 0.0 110.211 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.89 -29.38 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.395 -0.815 . . . . 0.0 109.971 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.88 27.09 22.6 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.39 150.1 42.02 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.325 -1.103 . . . . 0.0 110.123 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 64.53 3.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.423 -0.798 . . . . 0.0 110.26 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.655 HD11 HD22 ' A' ' 144' ' ' LEU . 59.5 mt -112.36 104.37 12.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.0 110.121 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.0 p -58.87 166.23 2.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.0 110.344 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.87 -29.63 70.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.386 -0.821 . . . . 0.0 110.14 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.93 96.73 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.423 -0.798 . . . . 0.0 110.111 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -65.4 -51.94 56.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.39 -0.819 . . . . 0.0 110.067 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.621 HG12 ' CD1' ' A' ' 125' ' ' LEU . 88.8 t -62.66 -28.37 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 109.94 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.16 -44.28 76.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.329 -0.857 . . . . 0.0 110.004 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.89 -29.13 68.16 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.364 -0.835 . . . . 0.0 109.95 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.492 ' HE2' ' CZ ' ' A' ' 140' ' ' PHE . 0.3 OUTLIER -79.28 -35.1 41.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.386 -0.821 . . . . 0.0 110.032 179.836 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.621 ' CD1' HG12 ' A' ' 121' ' ' VAL . 57.1 mt -71.43 -26.28 62.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.416 -0.803 . . . . 0.0 110.158 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -69.53 -37.97 77.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.078 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -80.08 -29.87 39.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 110.189 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.667 ' CG1' HG23 ' A' ' 135' ' ' ILE . 59.7 t -96.67 -61.16 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.348 -0.845 . . . . 0.0 110.267 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 t -72.56 -159.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.388 -0.82 . . . . 0.0 110.243 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.03 40.63 28.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.385 -0.822 . . . . 0.0 110.496 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -149.5 -48.6 0.02 OUTLIER Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 45.6 m -128.7 -42.24 1.45 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.084 . . . . 0.0 110.185 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 133.24 -52.77 0.81 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -87.0 135.2 33.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.349 -1.089 . . . . 0.0 110.16 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.667 HG23 ' CG1' ' A' ' 128' ' ' VAL . 88.7 mt -102.84 146.67 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.317 -0.864 . . . . 0.0 110.119 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -92.57 137.84 32.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.456 -0.778 . . . . 0.0 110.17 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.635 HD13 ' HB3' ' A' ' 89' ' ' PHE . 1.1 pt -76.81 -21.2 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.329 -0.857 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.55 -53.88 20.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.255 -0.903 . . . . 0.0 110.215 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.45 -40.44 97.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.388 -0.82 . . . . 0.0 110.147 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.803 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -66.94 -44.41 80.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.839 . . . . 0.0 110.093 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.01 -30.2 70.79 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.392 -0.817 . . . . 0.0 110.088 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.32 -33.81 63.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.354 -0.841 . . . . 0.0 110.053 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.487 HD13 ' HG2' ' A' ' 124' ' ' MET . 13.8 mt -69.16 -34.08 74.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.408 -0.808 . . . . 0.0 110.198 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.655 HD22 HD11 ' A' ' 116' ' ' LEU . 87.0 mt -73.66 -49.74 24.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.339 -0.85 . . . . 0.0 110.237 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 t -63.44 162.15 13.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.33 -0.856 . . . . 0.0 110.108 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 18.3 pttt . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.326 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.167 0.508 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 p -135.02 27.29 3.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.367 -0.833 . . . . 0.0 110.272 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -166.68 163.79 16.73 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.43 -0.794 . . . . 0.0 110.173 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.565 HD22 ' HE2' ' A' ' 12' ' ' PHE . 27.4 mt -71.78 129.77 39.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.328 -0.858 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 p -83.44 176.41 9.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.314 -0.866 . . . . 0.0 110.152 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -61.41 -37.38 83.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 110.297 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.15 -44.95 86.93 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.383 -0.823 . . . . 0.0 110.216 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 6.1 mt-30 -66.84 -42.34 85.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.446 -0.784 . . . . 0.0 110.225 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.58 -31.67 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.348 -0.845 . . . . 0.0 110.052 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.56 81.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.422 -0.799 . . . . 0.0 110.078 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -67.03 -48.43 68.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.323 -0.86 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.565 ' HE2' HD22 ' A' ' 4' ' ' LEU . 23.2 m-85 -60.82 -37.83 83.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.343 -0.848 . . . . 0.0 110.148 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -61.06 -43.14 99.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.319 -0.863 . . . . 0.0 110.204 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.31 -53.73 53.0 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.352 -0.842 . . . . 0.0 110.159 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -63.67 -37.28 86.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.299 -0.876 . . . . 0.0 110.149 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.9 t80 -68.05 -42.39 80.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.318 -0.864 . . . . 0.0 110.212 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -29.05 70.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 110.162 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 15' ' ' ALA . 22.6 mt -63.19 -30.98 72.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.297 -0.877 . . . . 0.0 110.169 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.666 ' O ' HG22 ' A' ' 27' ' ' ILE . 97.5 m-85 -114.98 25.12 11.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.403 -0.811 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -78.13 -163.61 0.45 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.19 -0.944 . . . . 0.0 110.425 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -119.92 -38.13 3.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.459 -0.776 . . . . 0.0 110.219 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -161.71 -52.36 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.341 -0.849 . . . . 0.0 110.212 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.79 -36.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.462 -0.774 . . . . 0.0 110.21 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -52.62 -26.59 14.03 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.329 -0.857 . . . . 0.0 110.423 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.48 96.06 0.67 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 p -160.32 105.09 1.47 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.423 -1.045 . . . . 0.0 110.105 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 19' ' ' PHE . 36.2 pt -109.16 149.23 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.136 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.33 158.54 26.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.407 -0.808 . . . . 0.0 110.174 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -60.78 -28.98 69.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.334 -0.853 . . . . 0.0 110.247 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -62.17 -28.38 69.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.357 -0.84 . . . . 0.0 110.221 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.831 ' O ' HG23 ' A' ' 35' ' ' VAL . 28.7 mt-10 -93.66 -14.84 25.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.338 -0.851 . . . . 0.0 110.397 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.557 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 56.5 tp -54.5 -51.62 64.51 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.242 -0.911 . . . . 0.0 110.354 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.67 85.69 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 110.157 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -67.77 -37.81 82.6 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.327 -0.858 . . . . 0.0 110.064 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 31' ' ' GLU . 91.8 t -63.43 -37.0 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.349 -0.844 . . . . 0.0 109.936 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.8 mtt -69.6 -35.79 75.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.404 -0.81 . . . . 0.0 109.98 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -66.1 -36.62 83.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.445 -0.785 . . . . 0.0 110.287 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -76.11 -30.86 58.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.355 -0.84 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.94 -23.18 63.16 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.339 -0.851 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.38 32.48 1.35 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.3 mt -123.36 176.3 6.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.313 -1.11 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -168.67 68.65 0.73 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.298 -0.876 . . . . 0.0 110.231 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.92 140.02 28.13 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.812 1.427 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.07 169.15 1.13 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.387 -0.82 . . . . 0.0 110.206 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.19 -29.79 68.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.36 -0.837 . . . . 0.0 110.214 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.46 -41.5 72.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.421 -0.8 . . . . 0.0 110.074 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.67 -39.73 94.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.314 -0.866 . . . . 0.0 109.861 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.34 -49.86 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.41 -0.806 . . . . 0.0 110.011 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -52.18 -43.72 64.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.328 -0.857 . . . . 0.0 110.392 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -58.01 -48.0 81.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.244 -0.91 . . . . 0.0 110.005 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.82 HD21 ' HG3' ' A' ' 75' ' ' GLN . 5.6 mp -65.31 -50.67 64.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.339 -0.851 . . . . 0.0 109.882 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.557 ' HE3' ' HB3' ' A' ' 32' ' ' LEU . 1.3 mpt? -63.66 -26.97 68.91 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.397 -0.814 . . . . 0.0 110.23 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.92 -38.45 79.55 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.287 -0.883 . . . . 0.0 109.842 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.2 -32.16 55.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -0.842 . . . . 0.0 109.851 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 51' ' ' LEU . 6.6 mt -81.42 -62.8 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.508 -0.745 . . . . 0.0 109.809 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -57.93 121.07 9.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.394 -0.816 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -102.81 -60.17 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.4 -0.812 . . . . 0.0 110.072 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -100.9 -52.9 3.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.47 -46.07 0.02 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -121.84 122.12 38.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.279 -1.13 . . . . 0.0 110.255 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -129.21 125.71 37.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.397 -0.814 . . . . 0.0 110.008 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -89.48 113.29 24.64 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -0.835 . . . . 0.0 110.04 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.6 mt -79.96 130.79 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.369 -0.832 . . . . 0.0 110.16 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -93.94 160.15 14.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.457 -0.777 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.605 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.9 t80 -56.54 -32.7 65.39 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.545 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -62.2 -60.08 4.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.293 -0.879 . . . . 0.0 110.08 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.31 -33.99 75.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.333 -0.854 . . . . 0.0 110.149 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.77 -48.93 79.57 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.414 -0.804 . . . . 0.0 109.987 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.605 HD11 ' CE2' ' A' ' 65' ' ' PHE . 37.6 mt -59.92 -39.82 86.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -0.848 . . . . 0.0 110.0 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.43 61.24 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.428 -0.795 . . . . 0.0 110.061 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.7 mt -62.6 -35.88 80.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.352 -0.843 . . . . 0.0 109.979 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.773 ' O ' HD12 ' A' ' 76' ' ' LEU . 74.7 mmm -63.92 -44.35 93.16 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.803 . . . . 0.0 109.975 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -61.52 -36.38 80.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.454 -0.779 . . . . 0.0 109.992 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -68.76 -29.57 67.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.456 -0.778 . . . . 0.0 109.954 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.82 ' HG3' HD21 ' A' ' 51' ' ' LEU . 2.2 mm100 -92.61 -27.72 17.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 110.214 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.773 HD12 ' O ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -78.1 -8.61 58.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.428 -0.795 . . . . 0.0 110.615 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.87 -35.26 72.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.152 -0.968 . . . . 0.0 110.441 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.4 p -77.44 -56.82 4.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.336 -0.852 . . . . 0.0 110.261 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -99.62 129.35 45.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -135.7 -176.7 4.38 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.435 -0.791 . . . . 0.0 110.143 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 85' ' ' LEU . 25.6 m -63.61 -36.76 84.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.353 -0.842 . . . . 0.0 110.184 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -65.52 -57.21 8.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.35 -0.844 . . . . 0.0 110.257 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.99 -38.94 80.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.276 -0.89 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.48 -32.18 72.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.273 -0.892 . . . . 0.0 110.028 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 81' ' ' SER . 1.1 mt -69.88 -45.91 66.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.394 -0.816 . . . . 0.0 109.985 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.57 -28.2 69.47 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.97 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -69.76 -45.38 68.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.46 -0.775 . . . . 0.0 110.06 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.51 72.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.334 -0.854 . . . . 0.0 110.113 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.583 ' HB3' HG21 ' A' ' 137' ' ' ILE . 9.5 m-85 -61.3 -39.84 91.96 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.316 -0.865 . . . . 0.0 110.052 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -63.78 -41.15 98.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.353 -0.842 . . . . 0.0 109.992 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 87' ' ' GLU . 62.4 t -64.7 -31.6 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.438 -0.789 . . . . 0.0 110.031 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE2' HG22 ' A' ' 108' ' ' VAL . 5.8 m-85 -72.18 -32.91 67.27 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.408 -0.808 . . . . 0.0 110.161 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.5 167.68 2.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.33 -0.856 . . . . 0.0 109.985 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.39 -65.31 1.17 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 0.0 110.616 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.84 -78.47 0.11 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.349 -0.844 . . . . 0.0 110.46 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.57 -44.03 0.02 OUTLIER Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.0 124.97 20.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.341 -1.094 . . . . 0.0 110.107 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -72.45 64.35 1.4 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.4 mt -112.87 110.82 21.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.34 -1.094 . . . . 0.0 110.12 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.7 160.22 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.38 -0.825 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.87 160.25 26.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.328 -0.858 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.33 -26.46 18.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.353 -0.842 . . . . 0.0 110.442 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.44 -57.29 6.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.339 -0.851 . . . . 0.0 110.175 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.6 mt-10 -59.72 -26.81 65.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.326 -0.859 . . . . 0.0 110.174 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.854 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.3 tp -71.25 -45.34 63.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 110.127 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -63.95 -38.45 91.13 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.437 -0.789 . . . . 0.0 110.044 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -64.69 -41.76 95.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.318 -0.864 . . . . 0.0 110.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 104' ' ' GLU . 71.3 t -64.15 -41.71 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.305 -0.872 . . . . 0.0 110.025 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.61 -26.95 67.33 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.349 -0.844 . . . . 0.0 110.225 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.4 m -69.01 -45.34 70.76 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.3 -0.875 . . . . 0.0 110.14 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.6 m -61.09 -44.55 97.19 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.281 -0.887 . . . . 0.0 110.111 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.24 -19.89 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.335 -0.853 . . . . 0.0 110.231 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.68 15.99 60.72 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.77 106.34 2.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.23 -1.159 . . . . 0.0 109.928 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.8 63.85 0.46 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.384 -0.822 . . . . 0.0 110.28 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 52.8 mt -97.26 108.99 21.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 110.124 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.1 p -61.31 164.93 4.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.295 -0.878 . . . . 0.0 110.209 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -61.03 -32.38 71.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.447 -0.783 . . . . 0.0 110.2 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.51 97.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -0.875 . . . . 0.0 110.207 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.98 -52.62 40.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.356 -0.84 . . . . 0.0 110.088 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.437 HG12 ' CD1' ' A' ' 125' ' ' LEU . 67.7 t -61.14 -24.71 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.321 -0.862 . . . . 0.0 110.046 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.14 -47.94 39.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.255 -0.903 . . . . 0.0 110.122 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.78 -31.7 69.78 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.499 ' O ' HG23 ' A' ' 128' ' ' VAL . 5.3 ttp -80.04 -24.87 40.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 0.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.437 ' CD1' HG12 ' A' ' 121' ' ' VAL . 11.1 mt -74.08 -44.8 52.74 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 110.429 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -32.15 72.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.341 -0.85 . . . . 0.0 110.456 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -80.13 -20.7 44.38 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.314 -0.866 . . . . 0.0 110.562 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 124' ' ' MET . 72.5 t -103.88 -36.3 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.261 -0.899 . . . . 0.0 110.373 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.0 t -61.2 -82.45 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.295 -0.878 . . . . 0.0 110.391 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 51.12 25.99 2.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.215 -0.928 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.5 -95.1 0.65 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.8 t -146.95 -44.54 0.18 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -1.092 . . . . 0.0 110.323 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -170.03 -38.84 0.03 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.72 132.49 36.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.315 -1.109 . . . . 0.0 110.092 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.468 HG23 HG12 ' A' ' 128' ' ' VAL . 59.5 mt -121.45 157.77 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -0.874 . . . . 0.0 110.068 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -88.13 143.58 26.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.279 -0.888 . . . . 0.0 110.17 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.583 HG21 ' HB3' ' A' ' 89' ' ' PHE . 16.5 pt -78.93 -16.1 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.358 -0.839 . . . . 0.0 110.599 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -64.01 -56.84 12.17 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.209 -0.932 . . . . 0.0 110.426 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -60.43 -44.49 95.72 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.317 -0.864 . . . . 0.0 110.42 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.854 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -62.62 -44.73 95.54 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.48 -29.74 70.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 110.148 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.13 -35.72 36.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.422 -0.799 . . . . 0.0 110.197 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.25 -39.82 94.15 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.427 -0.796 . . . . 0.0 110.228 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.7 mt -75.79 -27.58 58.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.405 -0.81 . . . . 0.0 110.172 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -66.4 -45.21 80.76 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.441 -0.787 . . . . 0.0 110.184 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 13.1 pttt . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.305 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.187 0.517 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.33 78.12 0.23 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.333 -0.854 . . . . 0.0 110.177 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -96.94 149.16 22.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.264 -0.897 . . . . 0.0 110.168 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.6 HD22 ' HE2' ' A' ' 12' ' ' PHE . 33.9 mt -84.2 125.98 32.7 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.471 -0.768 . . . . 0.0 110.483 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -85.05 -179.61 7.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.391 -0.818 . . . . 0.0 109.846 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -61.82 -28.46 69.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.288 -0.882 . . . . 0.0 110.249 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -71.91 -46.01 59.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 110.033 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 24.9 mm-40 -69.84 -40.99 75.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 109.92 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.484 HD11 ' O ' ' A' ' 4' ' ' LEU . 69.6 mt -67.78 -29.29 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.466 -0.771 . . . . 0.0 109.889 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.12 72.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.345 -0.847 . . . . 0.0 109.891 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.71 -46.9 83.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.472 -0.767 . . . . 0.0 110.076 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.6 ' HE2' HD22 ' A' ' 4' ' ' LEU . 26.1 m-85 -60.82 -38.22 84.7 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.365 -0.834 . . . . 0.0 109.986 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -60.2 -40.2 89.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.387 -0.82 . . . . 0.0 110.065 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.67 -49.57 74.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.393 -0.817 . . . . 0.0 110.067 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.84 64.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.334 -0.853 . . . . 0.0 110.134 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.718 ' CE1' HG23 ' A' ' 27' ' ' ILE . 10.5 t80 -75.02 -34.5 61.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.82 . . . . 0.0 110.149 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -30.08 61.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.376 -0.827 . . . . 0.0 110.065 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 18' ' ' LEU . 22.2 mt -62.8 -29.15 70.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.347 -0.845 . . . . 0.0 110.127 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -111.41 30.89 6.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.361 -0.837 . . . . 0.0 110.242 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -138.98 91.25 2.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.321 -0.862 . . . . 0.0 110.249 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -58.71 -73.63 0.08 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.329 -0.857 . . . . 0.0 109.912 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -137.84 -119.24 0.14 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.377 -0.827 . . . . 0.0 109.371 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.4 m120 43.17 45.78 4.9 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.173 -0.954 . . . . 0.0 110.876 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.8 t30 57.26 173.17 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.315 -0.866 . . . . 0.0 110.171 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.06 88.97 0.15 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -159.95 134.16 7.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.32 -1.106 . . . . 0.0 110.476 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.718 HG23 ' CE1' ' A' ' 16' ' ' PHE . 40.2 pt -118.54 159.24 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.369 -0.832 . . . . 0.0 110.14 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -81.92 159.42 23.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -64.01 -31.9 73.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.448 -0.782 . . . . 0.0 110.204 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.4 m -59.22 -28.44 66.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.376 -0.828 . . . . 0.0 110.207 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.815 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.3 mt-10 -92.6 -15.82 26.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.423 -0.798 . . . . 0.0 110.507 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 HD13 ' A' ' 55' ' ' ILE . 62.3 tp -55.75 -53.27 58.64 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.177 -0.952 . . . . 0.0 110.338 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.51 74.28 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.341 -0.849 . . . . 0.0 110.181 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.5 m -71.9 -39.92 69.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 0.0 109.993 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 31' ' ' GLU . 96.0 t -62.22 -33.73 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.844 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.0 mtt -74.73 -34.05 62.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 0.0 109.877 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -68.2 -31.55 71.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.446 -0.784 . . . . 0.0 110.083 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 m -79.77 -33.18 40.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.417 -0.802 . . . . 0.0 110.151 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.29 -24.9 68.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.424 -0.797 . . . . 0.0 110.292 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.97 35.22 0.97 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.3 mt -121.86 -178.42 3.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -1.135 . . . . 0.0 110.118 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.64 68.27 0.86 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.333 -0.854 . . . . 0.0 110.108 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.42 137.64 25.9 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 O-C-N 123.667 1.351 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.93 168.42 2.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -59.33 -28.23 66.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.305 -0.872 . . . . 0.0 110.083 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.73 -39.34 70.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.362 -0.836 . . . . 0.0 109.994 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.7 -40.1 88.35 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.382 -0.824 . . . . 0.0 110.022 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.0 -40.81 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.36 -0.838 . . . . 0.0 109.96 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -62.98 -38.71 92.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.364 -0.835 . . . . 0.0 110.074 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.89 -47.57 82.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.437 -0.79 . . . . 0.0 110.023 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 55' ' ' ILE . 9.8 mt -62.13 -45.68 92.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.016 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.5 mtt -66.16 -28.17 68.57 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.37 -0.831 . . . . 0.0 109.819 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -65.99 -40.18 90.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.468 -0.77 . . . . 0.0 109.86 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.429 ' OE1' HD21 ' A' ' 71' ' ' LEU . 9.9 tt0 -72.96 -31.36 64.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 109.981 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.469 HD13 HD22 ' A' ' 32' ' ' LEU . 17.8 mt -85.92 -60.07 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.394 -0.817 . . . . 0.0 109.97 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -71.66 101.81 2.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.379 -0.825 . . . . 0.0 110.206 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.8 t -99.95 -37.34 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.367 -0.833 . . . . 0.0 110.2 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -138.53 41.69 2.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.12 28.74 72.65 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -166.21 98.54 0.62 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.33 -1.1 . . . . 0.0 110.205 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -165.46 103.79 0.72 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.362 -0.836 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -82.46 136.59 34.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.889 . . . . 0.0 109.99 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.8 mt -87.55 122.46 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.274 -0.891 . . . . 0.0 110.271 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.42 160.2 18.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 109.937 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.647 ' CE2' HD11 ' A' ' 69' ' ' LEU . 18.8 t80 -58.05 -25.77 61.63 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.292 -0.88 . . . . 0.0 110.418 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.0 t -72.24 -52.73 15.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.31 -0.869 . . . . 0.0 110.09 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -64.27 -33.03 74.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.432 -0.793 . . . . 0.0 110.003 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -64.45 -50.5 67.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.309 -0.87 . . . . 0.0 110.091 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.647 HD11 ' CE2' ' A' ' 65' ' ' PHE . 47.2 mt -59.79 -34.09 72.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.155 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.11 -47.16 59.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.435 -0.791 . . . . 0.0 110.077 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.429 HD21 ' OE1' ' A' ' 54' ' ' GLU . 4.6 mt -61.72 -39.93 93.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.363 -0.836 . . . . 0.0 110.066 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.454 ' O ' HD12 ' A' ' 76' ' ' LEU . 88.0 mmm -65.21 -36.49 84.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 110.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.8 t -61.81 -43.77 98.19 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.455 -0.778 . . . . 0.0 110.026 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -69.25 -27.0 65.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -0.81 . . . . 0.0 110.199 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -87.15 -38.84 16.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.311 -0.868 . . . . 0.0 110.247 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 72' ' ' MET . 17.1 mt -61.42 -26.91 68.17 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.265 -0.897 . . . . 0.0 110.232 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.46 118.14 36.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.425 -0.797 . . . . 0.0 110.115 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.7 t -133.11 171.88 13.41 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.397 -0.814 . . . . 0.0 110.383 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -107.35 -169.99 1.63 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.364 -0.835 . . . . 0.0 110.211 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.82 -168.07 2.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.374 -0.829 . . . . 0.0 110.298 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.9 t -66.12 -48.79 69.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 110.246 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -59.47 -54.66 44.01 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.308 -0.87 . . . . 0.0 110.155 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -58.38 -27.36 64.17 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.331 -0.856 . . . . 0.0 110.144 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.74 -45.0 84.24 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.416 -0.802 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.56 -49.5 70.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.362 -0.836 . . . . 0.0 110.057 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.66 -30.71 70.07 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.341 -0.85 . . . . 0.0 110.019 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.0 tp10 -64.91 -46.88 79.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.491 -0.756 . . . . 0.0 110.089 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.49 93.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.333 -0.854 . . . . 0.0 110.071 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.649 ' HB3' HD13 ' A' ' 137' ' ' ILE . 9.9 m-85 -60.11 -28.82 68.16 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.384 -0.823 . . . . 0.0 110.213 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -73.63 -41.67 62.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.399 -0.813 . . . . 0.0 110.102 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 87' ' ' GLU . 61.2 t -60.47 -39.13 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.4 -0.813 . . . . 0.0 110.097 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD1' HG22 ' A' ' 108' ' ' VAL . 12.2 m-85 -70.69 -25.04 62.79 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.414 -0.803 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -66.74 146.67 54.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.333 -0.854 . . . . 0.0 110.287 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -60.03 -62.83 1.58 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 110.155 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -106.23 -153.05 0.48 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.35 -0.844 . . . . 0.0 110.055 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -90.98 47.56 2.94 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.92 -155.48 0.57 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -1.104 . . . . 0.0 110.162 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.54 55.38 0.61 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.9 mt -140.92 110.31 6.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -1.118 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.37 160.58 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.33 -0.856 . . . . 0.0 110.185 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 t -79.45 160.26 26.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 110.292 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.48 -32.32 49.63 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.422 -0.799 . . . . 0.0 110.494 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.96 65.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.385 -0.822 . . . . 0.0 109.97 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.9 mt-10 -63.19 -34.46 77.69 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.344 -0.848 . . . . 0.0 110.035 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.711 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -66.17 -39.36 89.69 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 0.0 110.139 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -67.36 -38.15 84.34 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.84 . . . . 0.0 110.132 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -69.47 -36.7 76.81 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.402 -0.811 . . . . 0.0 110.157 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 104' ' ' GLU . 80.3 t -67.27 -38.18 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.38 -0.825 . . . . 0.0 110.134 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.0 -37.97 78.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.412 -0.805 . . . . 0.0 110.067 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.5 m -80.03 -29.84 39.39 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.351 -0.843 . . . . 0.0 110.247 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -67.76 -42.68 81.38 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.327 -0.858 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.5 mt -62.24 -29.62 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.29 -0.881 . . . . 0.0 109.949 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.76 30.42 23.82 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.4 164.04 27.23 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.44 -1.035 . . . . 0.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 57.93 4.77 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.329 -0.857 . . . . 0.0 110.174 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.5 mt -131.1 105.63 7.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.409 -0.807 . . . . 0.0 110.174 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.0 p -65.24 -177.72 0.41 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.361 -0.837 . . . . 0.0 110.273 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.63 -34.19 75.31 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.393 -0.817 . . . . 0.0 110.194 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.389 -0.82 . . . . 0.0 110.185 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.53 -51.23 68.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.33 -0.856 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.3 t -61.77 -27.35 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.83 . . . . 0.0 109.9 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.55 -48.02 61.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.494 -0.754 . . . . 0.0 109.981 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.23 -29.19 70.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.381 -0.824 . . . . 0.0 110.029 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.712 ' HG2' HD13 ' A' ' 143' ' ' LEU . 3.3 mtp -79.16 -35.18 42.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.353 -0.842 . . . . 0.0 110.003 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.523 HD21 HD22 ' A' ' 105' ' ' LEU . 2.8 mt -63.23 -39.91 95.95 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.455 -0.778 . . . . 0.0 110.167 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -61.64 -40.41 94.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.299 -0.876 . . . . 0.0 110.154 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.22 -34.84 36.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.445 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 124' ' ' MET . 71.7 t -79.97 -29.48 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.337 -0.852 . . . . 0.0 110.266 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.7 t -61.21 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.343 -0.848 . . . . 0.0 110.18 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -110.19 -29.69 8.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.829 . . . . 0.0 110.16 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -75.04 -106.98 0.1 OUTLIER Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.4 t -164.81 -46.68 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.317 -1.108 . . . . 0.0 110.214 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.43 -72.2 0.51 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -81.95 142.25 32.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.426 -1.044 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.449 HD13 HD23 ' A' ' 125' ' ' LEU . 81.1 mt -105.97 148.93 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.369 -0.832 . . . . 0.0 110.082 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -82.3 120.27 25.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.448 -0.783 . . . . 0.0 110.214 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.649 HD13 ' HB3' ' A' ' 89' ' ' PHE . 7.3 pt -62.66 -17.78 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.259 -0.9 . . . . 0.0 110.431 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -57.38 -46.97 82.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 110.376 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.431 ' HB3' HG13 ' A' ' 128' ' ' VAL . 13.8 mt-30 -69.49 -50.55 44.21 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.885 . . . . 0.0 110.171 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.711 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.67 -37.27 83.46 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.346 -0.846 . . . . 0.0 110.039 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.04 98.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.085 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.15 93.72 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.358 -0.839 . . . . 0.0 110.09 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.712 HD13 ' HG2' ' A' ' 124' ' ' MET . 8.8 mt -63.77 -36.03 82.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.865 . . . . 0.0 110.148 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.3 mt -79.31 -47.97 14.92 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.416 -0.803 . . . . 0.0 110.275 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.1 p -61.45 -73.18 0.1 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.347 -0.846 . . . . 0.0 110.16 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.186 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.24 0.543 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.08 56.96 1.26 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 110.152 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -121.04 -169.75 1.89 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.411 -0.806 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.587 ' O ' HD11 ' A' ' 9' ' ' ILE . 6.4 mt -56.1 142.62 35.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.339 -0.85 . . . . 0.0 110.454 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 p -77.06 170.8 15.88 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.399 -0.813 . . . . 0.0 110.177 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.18 -40.07 92.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.31 -0.869 . . . . 0.0 110.232 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -62.21 -47.05 86.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.305 -0.872 . . . . 0.0 110.018 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.406 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 15.3 mm-40 -66.13 -44.97 82.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.441 -0.787 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.587 HD11 ' O ' ' A' ' 4' ' ' LEU . 72.8 mt -66.19 -29.82 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.406 -0.809 . . . . 0.0 109.95 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.8 83.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.802 . . . . 0.0 109.958 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -48.32 74.3 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.468 -0.77 . . . . 0.0 110.068 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.515 ' HZ ' HD13 ' A' ' 76' ' ' LEU . 25.4 m-85 -61.91 -37.3 84.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.365 -0.835 . . . . 0.0 110.024 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -60.51 -40.63 92.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.427 -0.796 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.51 -49.29 71.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.386 -0.821 . . . . 0.0 110.233 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.56 -33.69 71.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.334 -0.854 . . . . 0.0 110.31 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -71.22 -39.92 71.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.262 -0.899 . . . . 0.0 110.264 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.66 -28.48 64.82 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.433 -0.792 . . . . 0.0 110.262 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.3 -32.65 73.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.349 -0.845 . . . . 0.0 110.248 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -106.54 26.94 9.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.328 -0.857 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -120.55 145.69 47.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -68.17 -81.16 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.251 -0.906 . . . . 0.0 110.227 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -174.05 -64.12 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.139 -0.976 . . . . 0.0 110.215 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -61.85 -51.75 66.95 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.467 -0.77 . . . . 0.0 110.342 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -87.75 133.74 33.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.343 -0.848 . . . . 0.0 110.33 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.01 41.28 2.21 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.9 p -125.45 155.8 39.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.381 -1.07 . . . . 0.0 110.202 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.6 pt -126.72 158.05 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.388 -0.82 . . . . 0.0 110.171 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 m -81.81 159.93 23.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.247 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -40.04 93.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.352 -0.843 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -25.99 35.2 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.352 -0.843 . . . . 0.0 110.397 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.822 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.4 mt-10 -94.45 -17.23 22.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.339 -0.851 . . . . 0.0 110.448 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.66 -50.27 73.71 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.194 -0.941 . . . . 0.0 110.451 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.46 85.59 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.3 m -66.85 -38.79 87.04 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.389 -0.819 . . . . 0.0 110.064 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 31' ' ' GLU . 80.3 t -61.66 -38.27 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.387 -0.821 . . . . 0.0 109.933 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.2 mtt -68.47 -36.08 78.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.42 -0.8 . . . . 0.0 109.979 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -66.92 -32.12 73.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.458 -0.776 . . . . 0.0 110.051 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 m -79.47 -35.07 40.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.119 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.43 -26.31 67.91 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.261 -0.899 . . . . 0.0 110.096 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.47 34.78 0.98 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.4 mt -119.66 179.67 4.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.351 -1.088 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -167.52 68.18 0.87 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.37 -0.831 . . . . 0.0 110.252 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.46 138.49 27.17 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.741 1.39 . . . . 0.0 110.346 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -60.37 167.96 2.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.324 -0.86 . . . . 0.0 110.223 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.84 -26.89 64.6 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.289 -0.882 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.64 -41.13 65.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.408 -0.807 . . . . 0.0 110.161 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' HD13 ' A' ' 51' ' ' LEU . 4.1 mt-10 -65.38 -37.28 86.54 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.387 -0.82 . . . . 0.0 110.066 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.03 -45.47 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.414 -0.804 . . . . 0.0 109.913 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.98 -39.09 90.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.449 -0.782 . . . . 0.0 110.028 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -63.19 -46.16 88.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 47' ' ' GLU . 3.1 mp -61.96 -45.91 91.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.393 -0.817 . . . . 0.0 110.119 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.7 mtt -65.11 -29.13 69.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.377 -0.827 . . . . 0.0 109.902 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -65.33 -42.57 92.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.496 -0.753 . . . . 0.0 110.052 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.71 -44.95 72.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.385 -0.822 . . . . 0.0 109.801 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.42 HD13 HD11 ' A' ' 63' ' ' ILE . 12.8 mt -65.57 -61.04 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.489 -0.757 . . . . 0.0 109.772 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -64.91 87.07 0.06 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.383 -0.823 . . . . 0.0 110.211 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 55' ' ' ILE . 66.1 t -71.5 -68.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -0.839 . . . . 0.0 110.188 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -94.18 -58.43 2.23 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.341 -0.849 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -156.75 -47.27 0.01 OUTLIER Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -115.82 148.47 39.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.354 -1.086 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -167.76 110.28 0.62 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.837 . . . . 0.0 110.194 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -82.93 125.8 31.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.317 -0.864 . . . . 0.0 110.022 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.42 HD11 HD13 ' A' ' 55' ' ' ILE . 73.3 mt -79.99 116.46 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.28 -0.887 . . . . 0.0 110.294 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -85.07 160.24 20.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.366 -0.834 . . . . 0.0 110.032 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.681 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.8 t80 -56.34 -26.18 51.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.317 -0.865 . . . . 0.0 110.362 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -50.44 23.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -0.856 . . . . 0.0 109.991 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.57 -34.76 78.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.378 -0.826 . . . . 0.0 110.077 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.89 -51.68 60.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.124 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD11 ' CE2' ' A' ' 65' ' ' PHE . 42.2 mt -56.32 -38.18 70.95 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.351 -0.843 . . . . 0.0 110.115 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.83 73.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.954 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -62.61 -41.49 99.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.429 -0.795 . . . . 0.0 110.072 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.804 ' HE3' HD11 ' A' ' 76' ' ' LEU . 96.1 mmm -64.9 -30.6 71.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.092 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -44.85 76.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.417 -0.802 . . . . 0.0 110.2 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 3.4 ptm180 -61.24 -38.61 87.26 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 109.904 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -78.59 -47.48 17.1 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.493 -0.755 . . . . 0.0 110.112 179.854 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.804 HD11 ' HE3' ' A' ' 72' ' ' MET . 5.2 mt -80.53 73.99 7.43 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.416 -0.803 . . . . 0.0 110.035 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -129.89 -153.65 0.58 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.411 -0.806 . . . . 0.0 110.133 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.5 m 56.12 58.21 4.51 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.319 -0.863 . . . . 0.0 110.324 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -130.6 114.56 15.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.366 -0.834 . . . . 0.0 110.174 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.43 91.88 1.03 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 0.0 110.305 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.5 m -79.95 -36.17 36.6 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.859 . . . . 0.0 110.106 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 86' ' ' LEU . 16.8 pt-20 -58.46 -38.23 77.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.44 -0.788 . . . . 0.0 110.231 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.8 -39.44 94.26 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.075 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.46 -48.03 83.01 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.392 -0.817 . . . . 0.0 110.125 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -45.92 90.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.317 -0.864 . . . . 0.0 110.018 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 82' ' ' GLU . 16.2 mt -63.79 -27.91 69.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.322 -0.861 . . . . 0.0 110.02 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.58 -46.34 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.427 -0.795 . . . . 0.0 110.063 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.95 -48.19 82.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.367 -0.833 . . . . 0.0 110.133 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.731 ' HB3' HD13 ' A' ' 137' ' ' ILE . 12.2 m-85 -60.92 -28.57 69.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.399 -0.813 . . . . 0.0 110.132 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -70.59 -42.58 70.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.817 . . . . 0.0 110.051 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.42 -39.78 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.838 . . . . 0.0 110.102 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.592 ' CD2' HG22 ' A' ' 108' ' ' VAL . 9.2 m-85 -67.02 -29.83 69.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.338 -0.851 . . . . 0.0 110.214 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -79.58 129.45 34.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.836 . . . . 0.0 110.194 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.42 -27.0 10.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.389 -0.819 . . . . 0.0 110.214 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.86 -33.76 72.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 0.0 110.242 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.01 35.74 6.25 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.654 ' HB3' HD12 ' A' ' 99' ' ' LEU . 2.6 m-20 -130.48 6.98 4.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.336 -1.096 . . . . 0.0 110.593 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 61.54 38.76 96.34 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.654 HD12 ' HB3' ' A' ' 97' ' ' ASP . 12.4 mt -128.72 113.81 15.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.419 -1.048 . . . . 0.0 110.23 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 pt -127.43 160.27 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m -79.7 160.45 26.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.85 . . . . 0.0 110.196 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.13 -35.08 33.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.44 -0.787 . . . . 0.0 110.56 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.6 85.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.368 -0.833 . . . . 0.0 110.004 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.834 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.6 mt-10 -64.51 -38.07 89.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.386 -0.821 . . . . 0.0 109.847 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.831 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.6 tp -61.24 -38.81 88.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 0.0 110.065 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -69.23 -40.64 77.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.421 -0.799 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -67.15 -27.4 67.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.4 -0.812 . . . . 0.0 110.187 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 104' ' ' GLU . 89.0 t -75.09 -47.17 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.347 -0.846 . . . . 0.0 110.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 105' ' ' LEU . 9.6 mt -63.2 -28.98 70.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.141 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.7 m -80.04 -31.87 39.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 0.0 110.214 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.96 -38.97 66.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.296 -0.877 . . . . 0.0 110.179 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.11 -26.78 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.36 -0.837 . . . . 0.0 110.082 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.32 31.03 32.07 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.26 161.73 30.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.377 -1.072 . . . . 0.0 110.263 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.7 60.58 5.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.845 . . . . 0.0 110.16 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 116' ' ' LEU . 81.6 mt -135.53 118.52 16.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.4 p -81.78 -178.22 6.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 0.0 110.105 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -27.94 69.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.331 -0.856 . . . . 0.0 110.152 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.32 -43.97 84.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.331 -0.855 . . . . 0.0 110.078 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.63 -48.59 76.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.0 110.121 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.561 HG12 HD12 ' A' ' 125' ' ' LEU . 73.7 t -61.09 -30.83 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.372 -0.83 . . . . 0.0 109.901 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.24 -47.31 80.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.376 -0.827 . . . . 0.0 109.981 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.35 -30.33 71.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.377 -0.827 . . . . 0.0 109.892 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.542 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 1.1 ttp -80.13 -34.4 37.8 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.42 -0.8 . . . . 0.0 109.995 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.561 HD12 HG12 ' A' ' 121' ' ' VAL . 2.0 mt -64.04 -37.07 86.08 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.435 -0.791 . . . . 0.0 110.218 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -66.19 -31.18 71.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.366 -0.834 . . . . 0.0 110.226 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -80.05 -32.6 39.4 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.419 -0.8 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.631 HG12 HG23 ' A' ' 135' ' ' ILE . 62.9 t -90.46 -26.77 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.309 -0.87 . . . . 0.0 110.309 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.3 p -61.66 117.38 5.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.279 -0.888 . . . . 0.0 110.198 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.02 -29.1 11.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.431 -0.793 . . . . 0.0 110.19 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 110.68 39.56 1.43 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.97 -57.01 2.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.34 -1.094 . . . . 0.0 110.208 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 160.08 -50.06 0.38 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -114.21 152.13 31.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.438 -1.037 . . . . 0.0 110.184 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.631 HG23 HG12 ' A' ' 128' ' ' VAL . 80.8 mt -105.93 143.66 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 110.065 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.35 125.12 32.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.369 -0.832 . . . . 0.0 110.19 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.731 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.9 pt -64.75 -18.6 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.385 -0.822 . . . . 0.0 110.468 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -59.55 -41.94 91.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.115 -0.99 . . . . 0.0 110.198 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.72 -46.12 48.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.311 -0.868 . . . . 0.0 110.089 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.831 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.94 -45.42 85.87 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.372 -0.83 . . . . 0.0 110.018 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.32 -31.97 73.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.392 -0.817 . . . . 0.0 110.064 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.79 62.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.392 -0.817 . . . . 0.0 110.197 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.486 HD13 ' CG ' ' A' ' 124' ' ' MET . 5.3 mt -68.57 -35.98 78.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.184 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.91 -29.04 39.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 110.251 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.0 t -103.23 47.23 0.89 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.428 -0.795 . . . . 0.0 110.249 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.5 tttt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.164 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.2 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.172 0.511 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -162.28 124.11 2.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 0.0 110.21 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 52.87 -170.75 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.328 -0.857 . . . . 0.0 110.459 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.548 ' O ' HD11 ' A' ' 9' ' ' ILE . 7.0 mt -53.71 133.26 41.99 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.323 -0.861 . . . . 0.0 110.433 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -72.03 172.19 10.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.365 -0.835 . . . . 0.0 110.078 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.16 -34.15 75.86 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 110.168 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.9 -46.06 76.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.076 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.51 -42.99 86.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.325 -0.86 . . . . 0.0 110.096 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.548 HD11 ' O ' ' A' ' 4' ' ' LEU . 76.2 mt -66.1 -33.41 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.447 -0.783 . . . . 0.0 109.909 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -33.44 74.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.364 -0.835 . . . . 0.0 109.944 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -68.0 -49.21 62.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.077 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' HE2' HD22 ' A' ' 4' ' ' LEU . 27.2 m-85 -61.52 -36.09 79.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.333 -0.854 . . . . 0.0 110.028 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 13.5 ttmt -62.22 -42.01 98.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.348 -0.845 . . . . 0.0 110.185 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.95 -51.91 66.17 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -0.886 . . . . 0.0 110.135 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.86 85.46 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.324 -0.86 . . . . 0.0 110.157 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -67.13 -40.05 86.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.323 -0.861 . . . . 0.0 110.276 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.64 -27.75 65.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.364 -0.835 . . . . 0.0 110.221 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -63.34 -34.69 78.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.229 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 27' ' ' ILE . 85.3 m-85 -107.36 27.98 8.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.29 -0.881 . . . . 0.0 110.217 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -125.52 98.06 5.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.397 -0.814 . . . . 0.0 110.155 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -115.22 58.91 0.71 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.404 -0.81 . . . . 0.0 110.203 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -138.63 12.9 2.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.35 -0.843 . . . . 0.0 110.538 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 51.48 54.5 10.96 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.156 -0.965 . . . . 0.0 110.652 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -158.44 -60.61 0.08 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.321 -0.862 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.26 56.17 0.15 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -149.64 140.57 22.85 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.372 -1.075 . . . . 0.0 110.198 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 19' ' ' PHE . 40.1 pt -128.1 157.5 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.399 -0.813 . . . . 0.0 110.231 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.86 160.17 18.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.425 -0.797 . . . . 0.0 110.32 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -36.32 72.28 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.366 -0.834 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -57.02 -27.18 61.4 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.385 -0.822 . . . . 0.0 110.333 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 35' ' ' VAL . 23.3 mt-10 -98.78 -17.98 18.2 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.31 -0.868 . . . . 0.0 110.358 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.663 HD22 ' CD1' ' A' ' 63' ' ' ILE . 44.9 tp -57.17 -48.48 78.63 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.321 -0.862 . . . . 0.0 110.375 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.24 80.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.311 -0.868 . . . . 0.0 110.205 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.8 m -68.14 -37.87 81.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.9 t -61.33 -36.05 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.36 -0.837 . . . . 0.0 109.91 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.8 mtt -73.62 -37.5 65.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.865 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.35 -30.39 70.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.421 -0.799 . . . . 0.0 110.115 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -33.87 38.94 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.379 -0.825 . . . . 0.0 110.16 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.29 -27.96 66.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.343 -0.848 . . . . 0.0 110.215 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.96 39.86 0.4 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -126.33 177.81 6.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.291 -1.123 . . . . 0.0 110.095 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p -167.47 67.22 0.84 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.389 -0.82 . . . . 0.0 110.189 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.5 137.56 25.57 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 O-C-N 123.857 1.451 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.2 m -66.29 174.43 2.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.294 -0.879 . . . . 0.0 110.133 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -59.49 -28.49 67.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.278 -0.889 . . . . 0.0 110.11 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.68 69.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.372 -0.83 . . . . 0.0 110.021 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -68.64 -36.11 78.17 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.094 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 44' ' ' SER . 60.6 t -68.04 -39.4 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.366 -0.834 . . . . 0.0 109.936 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -63.84 -40.01 95.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.432 -0.792 . . . . 0.0 109.969 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.48 -47.06 87.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.378 -0.826 . . . . 0.0 110.056 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 55' ' ' ILE . 20.6 mt -63.31 -46.87 84.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.337 -0.852 . . . . 0.0 109.999 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.2 mtt -66.85 -28.28 68.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.398 -0.814 . . . . 0.0 109.917 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -67.02 -36.21 81.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.433 -0.792 . . . . 0.0 109.935 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -79.39 -30.36 42.42 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.445 -0.784 . . . . 0.0 109.95 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.554 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 10.6 mt -88.51 -64.41 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.47 -0.769 . . . . 0.0 109.944 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -60.94 108.62 0.89 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.343 -0.848 . . . . 0.0 110.267 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 55' ' ' ILE . 64.8 t -100.15 -50.77 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.831 . . . . 0.0 110.202 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -113.51 26.81 10.08 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.376 -0.827 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.46 -34.12 5.36 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -121.02 136.09 55.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.283 -1.128 . . . . 0.0 110.3 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 55' ' ' ILE . 12.1 t-80 -168.02 126.35 1.2 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 110.134 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -96.7 120.53 37.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.466 -0.771 . . . . 0.0 110.044 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.663 ' CD1' HD22 ' A' ' 32' ' ' LEU . 84.0 mt -80.05 133.63 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.388 -0.82 . . . . 0.0 110.199 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.49 160.16 14.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.417 -0.802 . . . . 0.0 110.029 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.716 ' CE2' HD11 ' A' ' 69' ' ' LEU . 17.6 t80 -56.97 -36.36 70.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.873 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.3 p -62.54 -55.86 23.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.399 -0.813 . . . . 0.0 110.011 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.49 -29.4 70.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 0.0 110.044 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -68.66 -47.62 66.05 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.306 -0.871 . . . . 0.0 110.06 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.716 HD11 ' CE2' ' A' ' 65' ' ' PHE . 42.2 mt -59.56 -37.76 79.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.425 -0.797 . . . . 0.0 110.001 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.37 -45.34 76.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.407 -0.808 . . . . 0.0 110.014 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.19 -42.11 98.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.395 -0.816 . . . . 0.0 110.037 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.547 ' O ' HD12 ' A' ' 76' ' ' LEU . 93.4 mmm -62.05 -39.41 92.28 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.386 -0.822 . . . . 0.0 110.028 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -41.84 96.2 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.389 -0.82 . . . . 0.0 110.057 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -67.48 -31.08 70.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.338 -0.851 . . . . 0.0 110.048 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -79.32 -45.08 20.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.387 -0.82 . . . . 0.0 110.042 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 72' ' ' MET . 8.1 mt -61.33 -28.0 68.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.369 -0.832 . . . . 0.0 110.117 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 113.6 25.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 0.0 110.007 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.7 p -63.15 -74.33 0.1 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.326 -0.859 . . . . 0.0 110.263 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -168.01 119.33 0.83 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.362 -0.836 . . . . 0.0 110.219 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -150.37 71.13 1.05 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -0.855 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.6 t -69.34 -22.26 63.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.383 -0.823 . . . . 0.0 110.239 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' HG2' HD11 ' A' ' 86' ' ' LEU . 39.6 tt0 -58.1 -50.69 72.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.366 -0.834 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -51.88 -43.9 63.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.43 -0.794 . . . . 0.0 110.471 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.94 -43.31 96.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.353 -0.842 . . . . 0.0 110.07 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -37.09 83.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.334 -0.854 . . . . 0.0 110.119 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.401 HD11 ' HG2' ' A' ' 82' ' ' GLU . 77.8 mt -63.25 -32.97 74.52 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.408 -0.808 . . . . 0.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.35 -46.37 55.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.392 -0.817 . . . . 0.0 110.136 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.3 93.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 110.202 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.658 ' CE1' HG11 ' A' ' 108' ' ' VAL . 9.6 m-85 -61.95 -35.65 79.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.341 -0.85 . . . . 0.0 110.175 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -62.96 -43.2 99.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 110.186 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.64 -32.15 56.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.411 -0.805 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.445 ' CD2' HG22 ' A' ' 108' ' ' VAL . 6.7 m-85 -73.46 -28.0 61.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.402 -0.811 . . . . 0.0 110.141 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' ASN . 11.6 t70 -74.36 -29.66 61.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.361 -0.837 . . . . 0.0 110.2 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.15 -69.94 0.09 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.506 -0.746 . . . . 0.0 110.522 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' ASP . 24.1 t-20 -53.58 -37.98 63.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.187 -0.945 . . . . 0.0 110.417 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.55 43.06 4.35 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.46 -28.39 11.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.341 -1.094 . . . . 0.0 110.161 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.86 32.98 7.25 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 134' ' ' GLU . 6.5 mt -143.52 134.03 24.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.42 -1.047 . . . . 0.0 110.153 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.405 HG23 ' C ' ' A' ' 99' ' ' LEU . 46.7 pt -146.34 160.22 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.406 -0.809 . . . . 0.0 110.253 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.9 m -79.78 160.36 26.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.385 -0.822 . . . . 0.0 110.189 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.24 -27.42 14.8 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.37 -0.831 . . . . 0.0 110.428 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.83 39.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.366 -0.834 . . . . 0.0 110.032 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.9 mt-10 -62.96 -37.5 87.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 109.93 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.78 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -66.26 -39.25 89.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.382 -0.824 . . . . 0.0 110.086 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -65.47 -39.9 92.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.333 -0.855 . . . . 0.0 110.096 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -67.4 -31.83 72.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.326 -0.859 . . . . 0.0 110.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 104' ' ' GLU . 68.0 t -70.78 -42.98 77.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.368 -0.833 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -29.96 70.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.414 -0.803 . . . . 0.0 110.166 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.7 m -78.47 -43.19 27.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.267 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -44.03 97.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.332 -0.855 . . . . 0.0 110.176 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.31 -25.18 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.4 -0.812 . . . . 0.0 110.173 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.49 36.73 58.82 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 169.79 1.44 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.406 -1.055 . . . . 0.0 110.235 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 47.61 1.35 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.355 -0.841 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.481 HD11 HD22 ' A' ' 144' ' ' LEU . 84.6 mt -124.77 159.3 31.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.417 -0.802 . . . . 0.0 110.228 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 12.8 p -122.73 -171.73 2.34 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.364 -0.835 . . . . 0.0 110.186 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.04 -37.47 85.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.402 -0.811 . . . . 0.0 110.128 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.32 99.09 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.322 -0.861 . . . . 0.0 110.099 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.454 ' HB3' HD22 ' A' ' 116' ' ' LEU . 7.0 mm-40 -66.83 -49.45 65.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.391 -0.818 . . . . 0.0 110.064 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -65.06 -28.93 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.364 -0.835 . . . . 0.0 109.998 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.56 -41.92 75.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.349 -0.844 . . . . 0.0 109.97 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.61 -30.82 67.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.855 . . . . 0.0 109.949 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.484 ' O ' HG23 ' A' ' 128' ' ' VAL . 4.5 mtp -75.71 -38.41 58.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 110.053 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.69 -35.27 79.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.353 -0.842 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -67.09 -42.13 85.13 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.368 -0.832 . . . . 0.0 110.136 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -29.98 38.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.351 -0.843 . . . . 0.0 110.215 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 124' ' ' MET . 85.7 t -89.75 -62.15 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.166 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.01 97.49 0.17 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.223 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -163.72 30.16 0.08 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.446 -0.784 . . . . 0.0 110.204 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -122.89 -89.31 0.92 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.2 m -116.56 -35.87 4.12 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.35 -1.088 . . . . 0.0 110.234 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 150.29 -37.37 0.92 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.518 ' HB3' HD22 ' A' ' 99' ' ' LEU . 7.1 mm-40 -82.08 113.7 20.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.414 -1.051 . . . . 0.0 110.187 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 84.8 mt -91.14 141.29 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.121 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -86.33 138.49 31.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -0.847 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 89' ' ' PHE . 18.1 pt -67.58 -21.3 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.445 -0.785 . . . . 0.0 110.411 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -59.92 -52.83 63.76 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.211 -0.93 . . . . 0.0 110.291 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -63.29 -49.88 72.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.339 -0.851 . . . . 0.0 110.204 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.78 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -60.91 -45.82 93.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.339 -0.851 . . . . 0.0 110.176 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.75 71.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.857 . . . . 0.0 110.16 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.02 -32.71 39.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.322 -0.861 . . . . 0.0 110.125 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.38 -40.11 95.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.348 -0.845 . . . . 0.0 110.159 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 116' ' ' LEU . 88.1 mt -74.03 -67.8 0.58 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.42 -0.8 . . . . 0.0 110.097 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.8 t 53.81 -88.8 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.41 -0.806 . . . . 0.0 110.677 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.017 -1.052 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.254 0.55 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.97 43.36 0.05 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.341 -0.85 . . . . 0.0 110.243 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -61.62 105.91 0.6 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.387 -0.821 . . . . 0.0 110.154 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.629 ' O ' HD11 ' A' ' 9' ' ' ILE . 23.2 mt -63.25 125.97 25.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.391 -0.818 . . . . 0.0 110.219 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.419 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -69.14 161.57 28.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.793 . . . . 0.0 110.265 179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -52.42 -50.17 63.09 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.709 0.766 . . . . 0.0 109.785 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 14.1 pt-20 -54.38 -42.65 70.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.724 -0.61 . . . . 0.0 110.594 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 64.7 mt-30 -70.45 -42.71 71.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 109.982 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.629 HD11 ' O ' ' A' ' 4' ' ' LEU . 72.1 mt -66.15 -29.47 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.419 -0.801 . . . . 0.0 109.854 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.36 -39.23 71.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.415 -0.803 . . . . 0.0 109.988 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -63.54 -47.3 82.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.424 -0.797 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.454 ' HE2' HD22 ' A' ' 4' ' ' LEU . 26.4 m-85 -61.11 -39.62 90.68 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.381 -0.824 . . . . 0.0 110.089 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -59.09 -40.47 85.37 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.425 -0.797 . . . . 0.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -62.3 -51.54 67.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.423 -0.798 . . . . 0.0 110.038 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -25.67 63.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.885 . . . . 0.0 110.154 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' CE1' HG23 ' A' ' 27' ' ' ILE . 18.9 t80 -78.64 -33.25 47.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.332 -0.855 . . . . 0.0 110.161 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.76 -28.53 55.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.386 -0.821 . . . . 0.0 110.248 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.38 -28.09 69.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.197 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -114.91 32.82 5.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.367 -0.833 . . . . 0.0 110.153 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -118.81 167.16 11.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.384 -0.823 . . . . 0.0 110.115 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -87.51 5.94 36.66 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.505 -0.747 . . . . 0.0 110.632 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 52.7 40.22 29.91 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.106 -0.996 . . . . 0.0 110.415 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -132.67 -47.46 0.88 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.41 -0.806 . . . . 0.0 110.192 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -118.59 -44.24 2.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.398 -0.814 . . . . 0.0 110.174 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.07 46.2 0.56 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -139.26 149.64 44.53 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.307 -1.114 . . . . 0.0 110.151 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.405 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.7 pt -125.36 159.48 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.369 -0.832 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -81.51 157.0 25.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.373 -0.83 . . . . 0.0 110.173 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -62.26 -29.14 70.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.307 -0.87 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -62.75 -33.83 75.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.412 -0.805 . . . . 0.0 110.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.784 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.7 mt-10 -86.23 -17.19 35.44 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.348 -0.845 . . . . 0.0 110.375 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -53.47 -50.33 65.54 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.909 . . . . 0.0 110.37 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.78 84.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.326 -0.859 . . . . 0.0 110.098 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.6 m -68.48 -37.13 79.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.0 110.021 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 31' ' ' GLU . 65.9 t -62.42 -37.96 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.296 -0.878 . . . . 0.0 109.925 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.6 mtt -70.52 -35.89 73.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 109.947 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -65.67 -37.93 87.89 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.498 -0.751 . . . . 0.0 110.142 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -79.97 -28.75 39.54 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.108 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.2 mt -72.13 -23.56 61.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.358 -0.839 . . . . 0.0 110.313 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.97 33.53 1.14 Allowed Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.6 mt -124.2 172.24 9.21 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -1.131 . . . . 0.0 110.152 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -163.55 63.89 1.27 Allowed Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.346 -0.846 . . . . 0.0 110.215 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.36 138.06 26.74 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.81 1.426 . . . . 0.0 110.423 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -61.13 170.75 1.52 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.37 -0.831 . . . . 0.0 110.039 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -27.97 68.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.359 -0.838 . . . . 0.0 110.107 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.03 79.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.441 -0.787 . . . . 0.0 110.041 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -67.1 -38.84 86.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.832 . . . . 0.0 109.974 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 44' ' ' SER . 57.7 t -66.23 -38.3 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.386 -0.821 . . . . 0.0 109.91 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -34.15 77.38 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.381 -0.824 . . . . 0.0 109.974 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.25 -47.7 72.9 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.365 -0.834 . . . . 0.0 110.048 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.49 -39.9 95.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.374 -0.829 . . . . 0.0 109.978 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mtt -69.63 -27.64 65.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.426 -0.796 . . . . 0.0 109.993 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.43 -40.01 77.51 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.515 -0.74 . . . . 0.0 110.036 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -74.5 -30.96 62.01 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.371 -0.83 . . . . 0.0 109.86 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 57' ' ' VAL . 37.5 mt -81.37 -60.84 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.411 -0.806 . . . . 0.0 109.884 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -60.37 104.48 0.33 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.399 -0.813 . . . . 0.0 110.238 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 55' ' ' ILE . 64.0 t -97.2 -65.73 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.384 -0.822 . . . . 0.0 110.138 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.79 29.83 3.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.398 -0.814 . . . . 0.0 110.202 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.02 -59.89 0.63 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -102.94 137.3 41.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.422 -1.046 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 55' ' ' ILE . 11.4 t-80 -161.6 124.26 3.05 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.416 -0.802 . . . . 0.0 110.164 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -92.22 127.43 37.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.292 -0.88 . . . . 0.0 109.949 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.4 mt -79.86 124.6 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.226 -0.921 . . . . 0.0 110.189 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -87.68 160.11 18.25 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.326 -0.858 . . . . 0.0 110.148 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.722 ' CE2' HD11 ' A' ' 69' ' ' LEU . 15.7 t80 -58.3 -24.65 60.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.39 -0.819 . . . . 0.0 110.395 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.7 t -73.73 -51.27 17.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 71' ' ' LEU . 9.7 mm-40 -65.89 -30.53 71.15 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.222 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -69.67 -47.97 61.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.374 -0.829 . . . . 0.0 110.123 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.722 HD11 ' CE2' ' A' ' 65' ' ' PHE . 49.2 mt -60.06 -36.08 76.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.203 -0.936 . . . . 0.0 110.09 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.52 -47.42 48.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 0.0 110.089 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 67' ' ' GLU . 13.4 mt -60.94 -34.33 74.55 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.4 -0.813 . . . . 0.0 110.08 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.0 mmm -70.62 -36.44 73.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.83 . . . . 0.0 110.072 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -37.69 88.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.402 -0.811 . . . . 0.0 110.145 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.92 -28.33 57.97 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.376 -0.828 . . . . 0.0 110.259 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -89.34 -27.51 20.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.389 -0.82 . . . . 0.0 110.243 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.8 mt -74.7 -17.49 60.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.371 -0.831 . . . . 0.0 110.458 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.89 19.34 7.79 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.21 -0.931 . . . . 0.0 110.527 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -114.56 -26.23 7.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.253 -0.904 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -62.73 123.32 18.12 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.355 -0.84 . . . . 0.0 110.242 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.09 62.25 2.8 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.313 -0.867 . . . . 0.0 110.458 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.15 -27.01 63.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.318 -0.864 . . . . 0.0 110.234 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.15 -50.78 72.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.339 -0.851 . . . . 0.0 110.185 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.552 ' HA ' HD12 ' A' ' 86' ' ' LEU . 1.8 mm-40 -52.65 -42.06 64.35 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.324 -0.86 . . . . 0.0 110.401 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.355 -0.841 . . . . 0.0 110.148 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.82 -37.91 87.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.477 -0.765 . . . . 0.0 110.16 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 83' ' ' GLN . 36.8 mt -63.06 -36.3 83.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.383 -0.823 . . . . 0.0 110.218 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -67.4 -46.78 72.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.433 -0.792 . . . . 0.0 110.158 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.05 99.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.364 -0.835 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CD1' HG22 ' A' ' 137' ' ' ILE . 3.3 m-85 -61.02 -37.34 82.23 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.285 -0.885 . . . . 0.0 110.218 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -65.64 -40.49 92.56 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.353 -0.842 . . . . 0.0 110.173 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.27 -31.21 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.299 -0.876 . . . . 0.0 110.115 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CE2' HG22 ' A' ' 108' ' ' VAL . 6.3 m-85 -76.64 -27.61 55.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.329 -0.857 . . . . 0.0 110.232 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.26 162.71 25.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.412 -0.805 . . . . 0.0 110.152 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 96' ' ' GLY . 4.5 tptt -114.54 146.21 41.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.375 -0.828 . . . . 0.0 110.183 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 65.51 -68.3 0.12 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.491 -0.756 . . . . 0.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 148.8 61.05 0.01 OUTLIER Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -108.0 -28.26 9.67 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -1.042 . . . . 0.0 110.237 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.33 29.88 59.48 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.6 mt -130.96 108.06 9.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.376 -1.073 . . . . 0.0 110.16 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 pt -116.89 160.22 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.327 -0.858 . . . . 0.0 110.174 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 m -79.79 160.22 26.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.841 . . . . 0.0 110.22 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.35 -33.01 51.83 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.374 -0.829 . . . . 0.0 110.451 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.06 -53.27 52.4 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.261 -0.899 . . . . 0.0 110.099 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.775 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.2 mt-10 -60.53 -29.23 68.99 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.373 -0.83 . . . . 0.0 110.095 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.804 HD22 HD21 ' A' ' 125' ' ' LEU . 1.3 tp -67.18 -44.85 78.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.419 -0.801 . . . . 0.0 110.188 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -65.65 -40.6 92.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.426 -0.796 . . . . 0.0 110.16 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -63.22 -31.49 72.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.381 -0.824 . . . . 0.0 110.232 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 104' ' ' GLU . 72.5 t -77.76 -44.74 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.337 -0.852 . . . . 0.0 110.125 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -28.96 66.16 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.394 -0.816 . . . . 0.0 110.225 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.5 m -80.27 -37.1 33.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.329 -0.857 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.6 m -62.45 -40.13 95.6 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.403 -0.811 . . . . 0.0 110.175 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 63.1 mt -64.24 -27.12 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.347 -0.846 . . . . 0.0 110.103 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.84 32.83 52.64 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.69 -178.86 0.6 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.339 -1.095 . . . . 0.0 110.136 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.0 37.04 1.7 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.362 -0.836 . . . . 0.0 110.214 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.716 HD11 HD22 ' A' ' 144' ' ' LEU . 6.6 mt -101.65 101.36 11.87 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.4 p -61.14 177.25 0.36 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.369 -0.832 . . . . 0.0 110.143 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.91 -29.84 69.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.365 -0.834 . . . . 0.0 110.172 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.58 89.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.376 -0.827 . . . . 0.0 110.299 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.625 ' OE1' HD23 ' A' ' 116' ' ' LEU . 30.5 mt-10 -61.6 -47.74 84.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.4 -0.813 . . . . 0.0 110.228 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 125' ' ' LEU . 60.9 t -63.28 -31.97 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.388 -0.82 . . . . 0.0 110.126 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -43.34 78.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.38 -0.825 . . . . 0.0 110.166 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.63 -28.26 63.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.204 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.47 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 2.8 mtp -79.94 -29.99 39.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.377 -0.827 . . . . 0.0 110.158 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.804 HD21 HD22 ' A' ' 105' ' ' LEU . 22.7 mt -73.76 -39.53 64.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 110.26 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -65.73 -30.84 71.56 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.352 -0.843 . . . . 0.0 110.164 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.98 -32.79 39.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.149 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.779 ' CG1' HG23 ' A' ' 135' ' ' ILE . 61.5 t -94.06 -59.88 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.353 -0.842 . . . . 0.0 110.101 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 t -61.87 120.6 11.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.329 -0.857 . . . . 0.0 110.189 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -160.72 65.83 0.31 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.419 -0.801 . . . . 0.0 110.199 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 179.34 -91.43 0.08 OUTLIER Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.1 t -110.24 -26.59 9.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -1.11 . . . . 0.0 110.291 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 132.62 -8.31 5.26 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -79.77 103.17 9.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.186 -1.185 . . . . 0.0 110.212 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.779 HG23 ' CG1' ' A' ' 128' ' ' VAL . 13.7 mt -95.1 150.33 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.341 -0.849 . . . . 0.0 110.13 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.63 146.07 25.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.336 -0.852 . . . . 0.0 110.135 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.571 HG22 ' CD1' ' A' ' 89' ' ' PHE . 3.0 pt -78.73 -18.27 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -0.832 . . . . 0.0 110.505 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -71.51 -49.74 38.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.268 -0.895 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -62.3 -45.7 92.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 110.206 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.757 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -65.84 -41.72 91.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.37 -0.831 . . . . 0.0 110.119 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.99 -29.34 70.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.383 -0.823 . . . . 0.0 110.132 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.71 -33.92 52.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 110.07 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.61 -35.24 79.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.403 -0.811 . . . . 0.0 110.099 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 116' ' ' LEU . 89.0 mt -72.38 -29.04 63.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 110.216 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m -116.82 -76.34 0.57 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.355 -0.84 . . . . 0.0 110.222 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.172 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.203 0.525 . . . . 0.0 110.198 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -95.53 60.03 2.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.392 -0.818 . . . . 0.0 110.185 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -113.77 90.44 3.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.324 -0.86 . . . . 0.0 110.096 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.567 HD22 ' HE2' ' A' ' 12' ' ' PHE . 30.3 mt -77.23 132.24 38.62 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.365 -0.835 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 p -89.7 179.96 5.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.424 -0.798 . . . . 0.0 109.989 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -61.22 -36.69 80.63 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.354 -0.841 . . . . 0.0 110.15 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.4 -48.69 74.45 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 109.916 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -65.6 -44.98 84.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.377 -0.827 . . . . 0.0 109.93 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.95 -29.74 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.384 -0.823 . . . . 0.0 109.824 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.25 85.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 0.0 109.907 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.51 -50.39 72.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.435 -0.79 . . . . 0.0 109.979 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.567 ' HE2' HD22 ' A' ' 4' ' ' LEU . 26.3 m-85 -58.6 -37.61 76.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.341 -0.85 . . . . 0.0 110.101 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 12.2 ttmt -63.53 -37.68 88.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.429 -0.794 . . . . 0.0 110.184 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -61.9 -53.54 54.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.344 -0.848 . . . . 0.0 110.153 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.44 -33.83 75.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.336 -0.852 . . . . 0.0 110.068 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.5 -35.52 75.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.349 -0.844 . . . . 0.0 110.193 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.43 -27.39 60.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.351 -0.843 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.5 -46.6 86.37 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -87.48 -26.65 23.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.393 -0.817 . . . . 0.0 110.201 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -81.92 100.13 9.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 0.0 110.155 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -81.57 -64.29 1.22 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.847 . . . . 0.0 110.2 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -143.98 47.21 1.43 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.386 -0.821 . . . . 0.0 110.207 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -105.02 39.42 1.71 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.372 -0.83 . . . . 0.0 110.226 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m120 51.71 37.03 19.11 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.352 -0.843 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.06 48.32 15.99 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -144.73 144.59 31.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -1.088 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.0 pt -126.21 155.53 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.427 -0.796 . . . . 0.0 110.169 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -81.01 160.1 24.66 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.401 -0.812 . . . . 0.0 110.277 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -38.25 82.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.401 -0.812 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -25.58 42.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.387 -0.821 . . . . 0.0 110.431 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.765 ' O ' HG23 ' A' ' 35' ' ' VAL . 21.5 mt-10 -97.27 -17.66 19.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.331 -0.856 . . . . 0.0 110.374 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.544 HD22 ' CD1' ' A' ' 63' ' ' ILE . 53.4 tp -56.56 -51.41 68.7 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.282 -0.886 . . . . 0.0 110.449 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.79 -37.97 77.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.327 -0.858 . . . . 0.0 110.122 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.5 m -67.28 -38.32 84.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -0.83 . . . . 0.0 109.887 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 31' ' ' GLU . 99.6 t -59.75 -40.77 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.384 -0.823 . . . . 0.0 109.914 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.3 mtt -67.97 -35.75 78.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.389 -0.819 . . . . 0.0 109.824 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -68.07 -37.58 81.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.401 -0.812 . . . . 0.0 110.195 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 m -78.45 -33.06 48.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.89 . . . . 0.0 110.203 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.523 HD13 ' HE1' ' A' ' 72' ' ' MET . 4.9 mt -69.29 -27.22 65.22 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.386 -0.821 . . . . 0.0 110.209 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.17 33.91 1.19 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -117.69 176.09 5.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.343 -1.092 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 m -164.97 70.55 1.42 Allowed Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.385 -0.822 . . . . 0.0 109.954 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.9 140.27 34.76 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.749 1.394 . . . . 0.0 110.432 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -58.16 161.69 4.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.315 -0.865 . . . . 0.0 110.135 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -57.17 -27.96 62.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.31 -0.869 . . . . 0.0 110.03 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.93 -38.1 66.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 109.915 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.01 -36.91 84.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.351 -0.843 . . . . 0.0 109.92 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.31 -48.1 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.44 -0.788 . . . . 0.0 109.93 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -62.76 -41.63 99.31 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.402 -0.811 . . . . 0.0 109.968 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.59 -42.34 95.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.41 -0.806 . . . . 0.0 110.019 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 55' ' ' ILE . 41.8 mt -63.19 -43.2 98.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 109.857 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 mtt -67.91 -28.75 67.77 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.455 -0.778 . . . . 0.0 109.9 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -39.46 87.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.484 -0.76 . . . . 0.0 110.001 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -73.45 -31.29 63.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.413 -0.805 . . . . 0.0 109.793 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 57' ' ' VAL . 13.6 mt -85.55 -61.49 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.546 -0.721 . . . . 0.0 109.809 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -61.39 108.94 1.02 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.84 . . . . 0.0 110.197 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 55' ' ' ILE . 85.0 t -108.98 -64.28 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.417 -0.802 . . . . 0.0 110.203 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -90.14 -35.66 15.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.297 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 169.11 -82.49 0.09 OUTLIER Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -90.34 92.83 9.08 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.363 -1.081 . . . . 0.0 110.302 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 55' ' ' ILE . 12.3 t-80 -103.69 127.92 51.1 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.297 -0.877 . . . . 0.0 110.05 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -95.3 123.32 38.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.448 -0.782 . . . . 0.0 110.06 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.544 ' CD1' HD22 ' A' ' 32' ' ' LEU . 75.1 mt -79.82 126.29 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.356 -0.84 . . . . 0.0 110.175 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -88.09 160.12 17.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.424 -0.797 . . . . 0.0 110.134 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.703 ' CE2' HD11 ' A' ' 69' ' ' LEU . 19.8 t80 -57.13 -26.04 59.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.36 -0.837 . . . . 0.0 110.334 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.5 p -71.8 -54.86 8.83 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.336 -0.852 . . . . 0.0 110.05 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -63.32 -30.44 71.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.385 -0.822 . . . . 0.0 110.252 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -70.16 -44.96 67.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 110.081 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.703 HD11 ' CE2' ' A' ' 65' ' ' PHE . 45.9 mt -60.24 -38.03 82.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 110.041 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.83 -49.86 54.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.393 -0.817 . . . . 0.0 110.014 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.02 -38.58 83.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.341 -0.849 . . . . 0.0 110.082 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.579 ' HE3' HD11 ' A' ' 76' ' ' LEU . 84.2 mmm -63.22 -40.32 97.12 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.329 -0.857 . . . . 0.0 110.165 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.46 ' OG ' HD11 ' A' ' 4' ' ' LEU . 4.1 m -60.74 -45.53 93.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.31 -0.869 . . . . 0.0 110.207 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 mtt85 -64.42 -28.53 69.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.32 -0.862 . . . . 0.0 110.067 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -89.98 -20.55 23.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.377 -0.827 . . . . 0.0 110.471 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.579 HD11 ' HE3' ' A' ' 72' ' ' MET . 20.8 mt -91.41 15.74 11.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.241 -0.912 . . . . 0.0 110.58 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -168.43 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.163 -0.96 . . . . 0.0 110.301 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -94.41 -155.65 0.47 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.451 -0.781 . . . . 0.0 110.207 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 52.51 93.53 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.398 -0.814 . . . . 0.0 110.461 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.28 106.91 17.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.346 -0.846 . . . . 0.0 110.184 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.2 m -74.29 -11.4 60.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.358 -0.838 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.97 -58.94 6.34 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.226 -0.921 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -59.75 -24.71 64.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.306 -0.871 . . . . 0.0 110.231 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.28 -41.01 70.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.0 110.143 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -43.27 74.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -0.885 . . . . 0.0 110.141 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 mt -66.54 -28.93 68.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.046 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -43.43 71.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.375 -0.828 . . . . 0.0 110.175 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.09 -48.81 77.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.26 -0.9 . . . . 0.0 110.222 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.711 ' HB3' HD13 ' A' ' 137' ' ' ILE . 17.4 m-85 -62.32 -28.72 69.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.431 -0.793 . . . . 0.0 110.198 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -67.36 -45.69 75.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.365 -0.834 . . . . 0.0 110.134 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.07 -38.0 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -0.824 . . . . 0.0 110.063 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.441 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 9.5 m-85 -70.22 -26.63 63.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.396 -0.815 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -80.97 137.7 36.09 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 110.226 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -73.61 -29.5 62.42 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 0.0 110.208 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -110.54 -177.35 3.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.839 . . . . 0.0 110.258 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.51 35.74 4.86 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -104.44 -34.98 8.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.38 -1.07 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.41 53.01 0.84 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mt -134.41 99.65 4.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.416 -1.049 . . . . 0.0 110.211 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.433 HD11 HD12 ' A' ' 105' ' ' LEU . 42.5 pt -117.98 160.27 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.376 -0.827 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.7 t -79.69 160.17 26.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.341 -0.85 . . . . 0.0 110.232 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.45 -34.12 60.86 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.377 -0.827 . . . . 0.0 110.476 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -59.52 5.26 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.293 -0.879 . . . . 0.0 110.091 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.752 ' O ' HG23 ' A' ' 108' ' ' VAL . 10.2 mt-10 -58.6 -26.9 64.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.411 -0.806 . . . . 0.0 110.114 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.742 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 4.0 tp -68.47 -44.73 74.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.402 -0.811 . . . . 0.0 110.04 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -65.93 -37.12 85.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 109.955 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -66.29 -31.49 72.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.436 -0.79 . . . . 0.0 110.145 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 104' ' ' GLU . 65.1 t -78.84 -42.63 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.427 -0.795 . . . . 0.0 110.156 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -33.4 74.48 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.417 -0.802 . . . . 0.0 110.216 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 m -79.98 -34.62 38.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.325 -0.86 . . . . 0.0 110.317 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.9 t -65.88 -44.26 85.85 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.295 -0.878 . . . . 0.0 110.146 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.99 -24.72 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.313 -0.867 . . . . 0.0 110.13 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.17 31.46 57.41 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.51 166.18 4.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.42 -1.047 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 59.52 5.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.368 -0.833 . . . . 0.0 110.212 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.6 mt -136.52 142.38 43.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.847 . . . . 0.0 110.205 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.4 p -100.71 174.83 5.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.313 -0.867 . . . . 0.0 110.206 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.26 -37.0 74.09 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.376 -0.828 . . . . 0.0 110.204 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.15 96.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.381 -0.824 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.44 -47.6 81.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.312 -0.867 . . . . 0.0 109.98 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.6 t -61.73 -26.93 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.344 -0.848 . . . . 0.0 109.922 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.93 -49.91 53.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.081 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -33.3 75.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 0.0 110.088 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.562 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.8 ttp -74.77 -33.41 62.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.409 -0.807 . . . . 0.0 110.067 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.455 HD21 HD22 ' A' ' 105' ' ' LEU . 4.5 mt -64.93 -44.69 88.66 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 110.02 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -62.18 -29.09 70.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.427 -0.796 . . . . 0.0 110.186 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -80.04 -39.57 29.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.63 HG22 ' CD ' ' A' ' 139' ' ' GLN . 59.6 t -87.49 -59.38 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 0.0 110.167 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.417 ' HB2' HD13 ' A' ' 135' ' ' ILE . 22.9 t -66.61 87.75 0.13 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.815 . . . . 0.0 110.186 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.23 -27.87 69.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.196 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -109.58 -106.71 3.03 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.44 -36.89 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.355 -1.085 . . . . 0.0 110.465 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -56.35 -97.26 0.01 OUTLIER Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.44 158.97 15.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.283 -1.128 . . . . 0.0 110.357 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.417 HD13 ' HB2' ' A' ' 129' ' ' SER . 83.9 mt -131.02 158.38 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 109.985 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -92.83 128.54 38.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.307 -0.871 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.711 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.7 pt -79.91 -9.86 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.367 -0.833 . . . . 0.0 110.616 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -59.99 -56.91 15.8 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.145 -0.972 . . . . 0.0 110.387 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.769 ' OE1' HD12 ' A' ' 143' ' ' LEU . 0.0 OUTLIER -73.44 -32.69 64.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.344 -0.847 . . . . 0.0 109.816 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.742 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 2.0 t80 -70.04 -41.25 74.48 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.329 -0.857 . . . . 0.0 109.894 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.78 94.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -0.879 . . . . 0.0 109.827 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.49 98.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.43 -0.794 . . . . 0.0 110.086 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.769 HD12 ' OE1' ' A' ' 139' ' ' GLN . 4.0 mt -62.43 -35.83 80.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.401 -0.812 . . . . 0.0 110.13 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.25 -66.93 0.79 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 110.154 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.1 p 49.34 -158.03 0.07 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.488 -0.757 . . . . 0.0 110.674 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.452 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.204 0.526 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.4 p -81.09 100.04 8.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.356 -0.84 . . . . 0.0 110.199 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -88.07 115.52 25.61 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.355 -0.84 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.574 ' O ' HD11 ' A' ' 9' ' ' ILE . 17.9 mt -61.2 129.29 40.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.387 -0.821 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.428 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -69.65 161.43 29.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.407 -0.808 . . . . 0.0 110.245 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -52.29 -50.07 62.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.486 -0.759 . . . . 0.0 109.753 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 13.6 pt-20 -54.18 -43.17 70.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.684 -0.635 . . . . 0.0 110.572 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 10.2 mm100 -68.43 -45.22 73.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.333 -0.854 . . . . 0.0 110.036 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.574 HD11 ' O ' ' A' ' 4' ' ' LEU . 55.8 mt -65.46 -32.8 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.357 -0.84 . . . . 0.0 109.846 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.88 95.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.465 -0.772 . . . . 0.0 109.988 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.74 -49.99 70.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.433 -0.792 . . . . 0.0 110.144 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.542 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 25.2 m-85 -60.76 -41.01 94.62 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.35 -0.844 . . . . 0.0 110.19 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 2.7 ttmm -61.75 -38.34 87.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.328 -0.857 . . . . 0.0 110.206 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -61.08 -51.38 69.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 0.0 110.16 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.57 -34.25 73.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.435 -0.791 . . . . 0.0 110.112 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.47 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.0 t80 -68.61 -50.12 54.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.361 -0.837 . . . . 0.0 110.271 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.69 -29.94 70.42 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.287 -0.883 . . . . 0.0 110.203 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.82 -32.02 73.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.868 . . . . 0.0 110.238 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -102.77 25.4 9.27 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 0.0 110.226 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -125.26 131.16 53.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.3 -0.875 . . . . 0.0 110.113 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -60.89 -91.52 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.364 -0.835 . . . . 0.0 110.301 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -174.11 35.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.002 -1.061 . . . . 0.0 110.136 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -95.01 -63.05 1.21 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.271 -0.893 . . . . 0.0 110.302 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -139.69 -61.28 0.54 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.288 -0.883 . . . . 0.0 110.268 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.87 55.93 0.01 OUTLIER Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 p -133.43 145.99 50.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.324 -1.104 . . . . 0.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 16' ' ' PHE . 40.6 pt -126.44 157.54 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.332 -0.855 . . . . 0.0 110.219 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 m -84.18 160.16 20.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.181 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -39.94 84.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.39 -0.819 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.9 t -54.88 -24.77 24.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.382 -0.824 . . . . 0.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.824 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.9 mt-10 -95.3 -21.58 18.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.337 -0.852 . . . . 0.0 110.304 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 63' ' ' ILE . 60.9 tp -54.7 -53.65 52.14 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.27 -0.894 . . . . 0.0 110.434 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.07 77.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.247 -0.908 . . . . 0.0 110.173 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 m -69.32 -39.28 78.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.363 -0.836 . . . . 0.0 110.005 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 31' ' ' GLU . 99.9 t -62.05 -34.3 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.332 -0.855 . . . . 0.0 109.774 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.3 mtt -72.61 -35.37 67.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.386 -0.821 . . . . 0.0 109.797 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -66.15 -30.82 71.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.405 -0.809 . . . . 0.0 110.093 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.7 m -79.06 -35.96 41.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.407 -0.808 . . . . 0.0 110.142 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.81 -22.25 66.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.796 . . . . 0.0 110.278 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.22 34.82 0.99 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -126.25 176.63 6.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -1.06 . . . . 0.0 110.129 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -167.93 65.56 0.71 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.373 -0.829 . . . . 0.0 110.225 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.75 137.34 24.62 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.775 1.408 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.3 m -62.61 176.07 0.71 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.395 -0.815 . . . . 0.0 110.104 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -33.57 74.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.365 -0.834 . . . . 0.0 110.048 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.68 92.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.847 . . . . 0.0 109.972 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.62 -41.62 92.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.394 -0.816 . . . . 0.0 109.901 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 44' ' ' SER . 67.2 t -64.06 -38.73 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.4 -0.812 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -61.98 -38.78 89.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 109.894 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.99 -51.61 67.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.404 -0.81 . . . . 0.0 110.005 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.45 -43.57 98.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.393 -0.817 . . . . 0.0 109.99 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.5 mtt -67.59 -37.17 82.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.341 -0.849 . . . . 0.0 110.016 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -64.26 -27.71 69.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.4 -0.813 . . . . 0.0 110.201 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -86.65 -23.39 25.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -0.84 . . . . 0.0 110.204 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.694 HD13 ' CD1' ' A' ' 63' ' ' ILE . 3.7 mt -89.16 -50.2 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.863 . . . . 0.0 110.269 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -56.56 127.37 30.93 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.342 -0.849 . . . . 0.0 110.735 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 55' ' ' ILE . 79.0 t -128.95 -41.51 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.42 -0.8 . . . . 0.0 109.947 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -113.63 -32.69 6.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.314 -0.866 . . . . 0.0 110.322 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.34 -48.61 0.09 OUTLIER Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -122.83 -49.19 1.99 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.316 -1.108 . . . . 0.0 110.432 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.411 ' CD2' HG23 ' A' ' 55' ' ' ILE . 5.8 t60 55.98 106.33 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.5 -0.75 . . . . 0.0 110.57 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -79.77 129.45 34.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.893 . . . . 0.0 110.025 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.694 ' CD1' HD13 ' A' ' 55' ' ' ILE . 76.5 mt -79.84 139.76 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.302 -0.874 . . . . 0.0 110.204 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.46 160.07 15.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.366 -0.834 . . . . 0.0 110.063 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.783 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.7 t80 -57.84 -26.78 62.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.329 -0.857 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 t -71.28 -55.27 8.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.402 -0.811 . . . . 0.0 110.069 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.43 ' O ' HD12 ' A' ' 71' ' ' LEU . 2.6 mt-10 -65.02 -31.61 72.93 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.36 -0.838 . . . . 0.0 110.079 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.38 -48.39 67.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.372 -0.83 . . . . 0.0 110.08 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.783 HD11 ' CE2' ' A' ' 65' ' ' PHE . 39.5 mt -59.37 -37.41 77.86 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.305 -0.872 . . . . 0.0 110.117 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.97 -47.21 72.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.511 -0.743 . . . . 0.0 110.051 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 67' ' ' GLU . 7.1 mt -62.97 -38.39 90.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.318 -0.864 . . . . 0.0 110.099 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.748 ' O ' HD12 ' A' ' 76' ' ' LEU . 95.9 mmm -66.65 -42.0 87.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.19 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 t -64.64 -29.33 70.33 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.324 -0.86 . . . . 0.0 110.254 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -76.91 -29.07 55.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.371 -0.83 . . . . 0.0 110.087 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -93.15 -27.66 16.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.382 -0.823 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 72' ' ' MET . 1.2 mt -79.16 -29.19 42.92 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.332 -0.855 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -100.19 -168.54 1.6 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.365 -0.834 . . . . 0.0 110.224 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 p 51.26 43.78 29.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.487 -0.758 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -71.98 123.2 22.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.372 -0.83 . . . . 0.0 110.24 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -126.99 -163.56 1.26 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.252 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -15.7 62.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -0.813 . . . . 0.0 110.458 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -54.51 -58.16 8.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.214 -0.929 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -60.57 -32.46 71.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.278 -0.889 . . . . 0.0 110.129 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -67.64 -34.17 76.43 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.443 -0.785 . . . . 0.0 110.068 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.479 HD23 HD13 ' A' ' 112' ' ' ILE . 18.3 mt -68.21 -48.88 64.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.45 -0.781 . . . . 0.0 110.066 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.02 -33.38 71.93 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.369 -0.832 . . . . 0.0 110.119 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.577 ' O ' HG23 ' A' ' 91' ' ' VAL . 14.6 mt-10 -68.03 -48.42 65.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.412 -0.805 . . . . 0.0 110.148 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.83 -44.55 92.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.353 -0.842 . . . . 0.0 110.023 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.466 ' CD1' HG22 ' A' ' 137' ' ' ILE . 3.5 m-85 -62.39 -40.36 96.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.343 -0.848 . . . . 0.0 110.083 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -60.86 -36.64 79.67 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.315 -0.866 . . . . 0.0 110.12 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 87' ' ' GLU . 72.0 t -68.36 -37.09 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.363 -0.836 . . . . 0.0 109.826 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.477 ' CD2' HG22 ' A' ' 108' ' ' VAL . 9.6 m-85 -77.91 -28.81 49.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.378 -0.826 . . . . 0.0 110.044 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.486 ' CG ' HG23 ' A' ' 100' ' ' ILE . 3.9 t0 -89.41 -32.28 17.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.412 -0.805 . . . . 0.0 110.411 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.51 -122.98 2.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.28 -0.887 . . . . 0.0 109.598 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -98.78 44.57 1.02 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.703 -1.248 . . . . 0.0 110.074 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.56 29.1 10.16 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.37 25.96 2.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.364 -1.08 . . . . 0.0 110.491 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.87 49.37 29.05 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 99' ' ' LEU . 7.0 mt -146.7 110.83 5.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.333 -1.099 . . . . 0.0 110.204 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.486 HG23 ' CG ' ' A' ' 93' ' ' ASP . 43.5 pt -122.69 160.15 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.332 -0.855 . . . . 0.0 110.244 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -79.77 160.31 26.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.42 28.32 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.347 -0.846 . . . . 0.0 110.539 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.51 -59.75 4.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.405 -0.81 . . . . 0.0 110.044 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 108' ' ' VAL . 35.8 mt-10 -58.99 -29.63 67.37 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.364 -0.835 . . . . 0.0 110.04 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.843 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.1 tp -68.44 -43.04 77.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.463 -0.773 . . . . 0.0 110.079 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.571 ' HE2' HD11 ' A' ' 125' ' ' LEU . 11.1 mmtt -64.85 -40.75 95.65 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.409 -0.807 . . . . 0.0 110.078 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -63.75 -33.78 76.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.371 -0.83 . . . . 0.0 110.155 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.9 t -71.94 -49.59 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.366 -0.834 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.0 -37.46 79.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.432 -0.793 . . . . 0.0 110.162 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.7 m -72.06 -42.76 65.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.418 -0.802 . . . . 0.0 110.183 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.7 t -62.08 -44.52 96.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.431 -0.793 . . . . 0.0 110.156 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.479 HD13 HD23 ' A' ' 85' ' ' LEU . 87.6 mt -62.44 -23.69 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.422 -0.799 . . . . 0.0 110.177 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.55 33.88 63.6 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.572 ' HB3' HD12 ' A' ' 116' ' ' LEU . 2.9 mm-40 -57.6 161.41 3.62 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.444 -1.033 . . . . 0.0 110.371 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.16 57.26 4.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.397 -0.814 . . . . 0.0 110.162 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.572 HD12 ' HB3' ' A' ' 114' ' ' GLU . 10.6 mt -130.18 167.86 17.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 0.0 110.395 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 121' ' ' VAL . 22.5 p -124.79 -167.7 1.71 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.4 -0.813 . . . . 0.0 110.271 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.98 -33.12 63.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.386 -0.821 . . . . 0.0 110.2 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.88 79.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.374 -0.829 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.63 -46.22 66.71 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.331 -0.856 . . . . 0.0 110.115 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 117' ' ' THR . 93.8 t -64.04 -25.98 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.408 -0.807 . . . . 0.0 109.948 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.34 -49.27 28.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.027 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.09 -32.2 72.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.393 -0.817 . . . . 0.0 110.03 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.479 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 23.1 ttp -72.67 -28.84 62.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.793 . . . . 0.0 110.026 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.571 HD11 ' HE2' ' A' ' 106' ' ' LYS . 8.0 mt -74.57 -38.38 62.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.446 -0.784 . . . . 0.0 110.093 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -69.03 -27.9 66.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -0.887 . . . . 0.0 110.231 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -80.16 -26.53 39.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.89 . . . . 0.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.657 HG12 HG23 ' A' ' 135' ' ' ILE . 58.5 t -98.97 -30.74 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.383 -0.823 . . . . 0.0 110.144 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.4 t -63.54 140.95 58.92 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.321 -0.862 . . . . 0.0 110.221 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -162.99 -43.47 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.403 -0.811 . . . . 0.0 110.22 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -73.96 -81.49 0.43 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.83 -70.86 0.13 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.398 -1.06 . . . . 0.0 110.258 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.96 32.77 1.99 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -130.19 130.27 44.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.347 -1.09 . . . . 0.0 110.169 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.657 HG23 HG12 ' A' ' 128' ' ' VAL . 80.4 mt -134.08 143.26 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.37 -0.831 . . . . 0.0 110.217 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -82.13 149.11 28.15 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.36 -0.838 . . . . 0.0 110.082 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 89' ' ' PHE . 21.1 pt -80.04 -21.51 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.36 -0.838 . . . . 0.0 110.364 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -59.44 -54.91 41.18 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.249 -0.907 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.444 ' O ' HD12 ' A' ' 143' ' ' LEU . 5.5 mm100 -62.14 -43.43 98.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.308 -0.87 . . . . 0.0 110.204 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.843 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.55 -45.14 84.53 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.403 -0.811 . . . . 0.0 109.975 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.91 -33.07 72.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.324 -0.86 . . . . 0.0 110.185 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.95 -27.5 39.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.29 -0.881 . . . . 0.0 110.187 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 139' ' ' GLN . 0.6 OUTLIER -70.25 -33.09 71.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.416 -0.803 . . . . 0.0 110.188 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.55 HD22 HD11 ' A' ' 116' ' ' LEU . 90.4 mt -73.16 -69.27 0.43 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.421 -0.799 . . . . 0.0 110.159 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.7 t 51.94 -166.84 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.308 -0.87 . . . . 0.0 110.548 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.222 0.534 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -92.31 48.52 1.41 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.892 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -78.18 -172.63 2.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.383 -0.823 . . . . 0.0 110.211 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.442 HD22 ' HE2' ' A' ' 12' ' ' PHE . 10.8 mt -53.74 158.29 1.99 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.317 -0.864 . . . . 0.0 110.502 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.444 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -93.68 162.75 13.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.395 -0.816 . . . . 0.0 110.163 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.8 -49.72 62.17 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.695 0.759 . . . . 0.0 109.68 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.444 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 11.0 pt-20 -57.51 -42.68 83.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.786 -0.571 . . . . 0.0 110.456 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 32.2 mt-30 -69.88 -45.07 68.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.417 -0.802 . . . . 0.0 109.923 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -66.0 -28.17 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.513 -0.742 . . . . 0.0 109.81 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.26 -38.69 71.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.835 . . . . 0.0 109.87 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -64.82 -48.49 74.2 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 0.0 110.11 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 25.6 m-85 -62.03 -37.89 86.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.255 -0.903 . . . . 0.0 109.934 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 11.3 ttmt -61.07 -40.93 95.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.42 -0.8 . . . . 0.0 110.221 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.22 -50.28 72.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -0.825 . . . . 0.0 110.059 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.45 76.99 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 110.061 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE1' HG23 ' A' ' 27' ' ' ILE . 16.8 t80 -69.34 -47.07 65.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.818 . . . . 0.0 110.179 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -28.93 70.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.423 -0.798 . . . . 0.0 110.174 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.25 -37.73 84.15 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.347 -0.846 . . . . 0.0 110.169 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -104.88 26.74 8.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.34 -0.85 . . . . 0.0 110.169 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -119.63 60.96 0.84 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.407 -0.808 . . . . 0.0 110.123 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -98.75 30.07 3.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 0.0 110.265 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -102.69 14.51 31.77 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.317 -0.864 . . . . 0.0 110.445 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 m120 51.39 69.97 0.59 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.288 -0.882 . . . . 0.0 110.604 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -167.88 -50.03 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.361 -0.837 . . . . 0.0 110.205 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.99 35.73 1.32 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -151.32 159.39 44.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.464 -1.021 . . . . 0.0 110.105 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.511 HG23 ' CE1' ' A' ' 16' ' ' PHE . 46.1 pt -124.11 159.87 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.433 -0.792 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -90.29 160.24 16.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.347 -0.846 . . . . 0.0 110.362 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -35.82 73.37 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.343 -0.848 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.02 -25.64 61.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.382 -0.824 . . . . 0.0 110.299 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.816 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.1 mt-10 -99.99 -15.25 18.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.388 -0.82 . . . . 0.0 110.502 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.636 HD22 HD13 ' A' ' 55' ' ' ILE . 60.5 tp -57.39 -46.53 83.33 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.201 -0.937 . . . . 0.0 110.404 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.598 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -60.41 -46.26 90.63 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.296 -0.878 . . . . 0.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.2 m -62.55 -38.06 88.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.362 -0.836 . . . . 0.0 110.09 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 31' ' ' GLU . 93.1 t -59.11 -41.49 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.366 -0.834 . . . . 0.0 109.831 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.0 mtt -68.95 -33.85 74.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.403 -0.81 . . . . 0.0 109.762 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -73.58 -37.06 65.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 110.042 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.77 -33.98 71.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.469 -0.769 . . . . 0.0 110.004 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.86 -36.57 83.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -0.788 . . . . 0.0 110.056 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.09 -12.2 1.64 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 mt -81.11 -176.48 5.97 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.144 -1.209 . . . . 0.0 110.165 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 m -168.94 66.65 0.64 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.408 -0.808 . . . . 0.0 110.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.74 137.75 25.27 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 O-C-N 123.738 1.388 . . . . 0.0 110.387 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.0 m -61.81 175.08 0.7 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 110.155 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.13 -27.33 68.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.255 -0.903 . . . . 0.0 110.115 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.87 68.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.375 -0.828 . . . . 0.0 110.102 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -66.15 -36.74 83.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.439 -0.788 . . . . 0.0 110.194 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.598 HG13 ' HB2' ' A' ' 33' ' ' ALA . 64.5 t -66.8 -40.5 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.367 -0.833 . . . . 0.0 110.081 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.84 -42.04 98.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.425 -0.797 . . . . 0.0 110.068 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -59.96 -47.95 83.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 0.0 110.045 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 55' ' ' ILE . 6.9 mt -63.44 -46.99 83.74 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.429 -0.794 . . . . 0.0 109.963 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.9 mtt -64.34 -30.03 71.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.377 -0.827 . . . . 0.0 109.874 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.07 -42.35 97.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.453 -0.779 . . . . 0.0 109.896 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -67.05 -40.8 87.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.403 -0.81 . . . . 0.0 109.934 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.636 HD13 HD22 ' A' ' 32' ' ' LEU . 6.7 mt -75.35 -59.5 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 0.0 109.875 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -69.66 95.46 0.87 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 110.049 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.27 -58.65 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.321 -0.862 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -110.99 45.4 1.17 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.354 -0.841 . . . . 0.0 110.189 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.26 27.62 67.87 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -168.62 109.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.326 -1.102 . . . . 0.0 110.168 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -167.75 103.86 0.49 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -0.853 . . . . 0.0 110.29 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -79.99 142.12 35.32 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.431 -0.793 . . . . 0.0 109.975 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.585 ' CD1' HD22 ' A' ' 32' ' ' LEU . 67.0 mt -98.39 119.84 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.209 -0.932 . . . . 0.0 110.351 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.87 160.16 17.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.394 -0.816 . . . . 0.0 109.85 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.666 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.9 t80 -56.3 -25.24 47.87 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.29 -0.882 . . . . 0.0 110.492 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.4 p -71.89 -51.05 24.14 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.277 -0.89 . . . . 0.0 110.15 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.53 -35.26 78.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.37 -0.831 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -63.36 -47.09 83.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.37 -0.831 . . . . 0.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.666 HD11 ' CE2' ' A' ' 65' ' ' PHE . 43.7 mt -61.24 -39.73 91.41 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.289 -0.882 . . . . 0.0 110.0 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.5 -46.07 70.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.419 -0.8 . . . . 0.0 110.047 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.3 mt -63.45 -36.19 82.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.413 -0.804 . . . . 0.0 110.136 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.714 ' O ' HD12 ' A' ' 76' ' ' LEU . 80.8 mmm -67.74 -40.8 84.13 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.334 -0.854 . . . . 0.0 110.139 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -39.64 95.3 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.354 -0.841 . . . . 0.0 110.12 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -63.81 -36.99 85.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.825 . . . . 0.0 110.143 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -83.95 -36.73 23.05 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 110.184 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -65.58 -27.0 68.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.342 -0.849 . . . . 0.0 110.173 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.59 79.75 0.58 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.36 -0.838 . . . . 0.0 110.068 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.6 t -159.65 176.43 12.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 110.196 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -105.57 175.3 5.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.218 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.97 112.82 19.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.381 -0.824 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -42.89 22.77 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.358 -0.839 . . . . 0.0 110.24 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -62.86 -56.99 12.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.46 -0.775 . . . . 0.0 110.139 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -59.47 -27.14 65.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.38 -0.825 . . . . 0.0 110.213 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.03 -41.22 77.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 110.068 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -42.66 86.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.277 -0.889 . . . . 0.0 110.176 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.69 -35.95 81.35 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.45 -0.781 . . . . 0.0 110.018 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.93 -46.14 69.0 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.824 . . . . 0.0 110.093 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.1 99.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.302 -0.873 . . . . 0.0 110.031 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.488 ' HB3' HD13 ' A' ' 137' ' ' ILE . 9.3 m-85 -64.57 -32.55 74.25 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.377 -0.827 . . . . 0.0 110.168 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -65.52 -40.13 92.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.328 -0.858 . . . . 0.0 110.131 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.88 -36.59 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.375 -0.828 . . . . 0.0 110.038 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.97 -32.03 68.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 110.162 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.91 137.67 35.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.399 -0.813 . . . . 0.0 110.197 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -74.88 -45.37 43.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.165 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -86.1 -176.35 5.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.364 -0.835 . . . . 0.0 110.212 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.06 33.43 5.73 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.63 -31.85 10.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.348 -1.089 . . . . 0.0 110.2 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.81 67.63 0.8 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 99' ' ' LEU . 31.1 mt -144.69 110.37 5.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.35 -1.088 . . . . 0.0 110.172 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 pt -132.34 160.05 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.362 -0.836 . . . . 0.0 110.358 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.78 160.12 26.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.378 -0.826 . . . . 0.0 110.201 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.23 -28.37 58.18 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.294 -0.879 . . . . 0.0 110.353 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.59 -56.84 11.33 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.422 -0.799 . . . . 0.0 110.082 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.659 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.4 mt-10 -61.61 -32.54 72.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.825 . . . . 0.0 110.036 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.782 HD22 HD21 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -67.29 -37.52 83.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.402 -0.812 . . . . 0.0 110.103 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -72.16 -33.88 68.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -70.32 -29.89 66.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 110.175 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 104' ' ' GLU . 62.9 t -79.16 -33.04 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.434 -0.791 . . . . 0.0 110.185 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.59 -28.14 60.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.39 -0.819 . . . . 0.0 110.267 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -80.03 -41.74 25.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.356 -0.84 . . . . 0.0 110.358 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -42.56 99.39 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.282 -0.886 . . . . 0.0 110.244 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 108' ' ' VAL . 74.4 mt -62.75 -27.36 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.337 -0.852 . . . . 0.0 110.078 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.17 32.72 47.36 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.45 161.17 12.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.402 -1.057 . . . . 0.0 110.17 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 60.62 6.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.367 -0.833 . . . . 0.0 110.16 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.1 mt -136.78 134.84 37.48 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.387 -0.821 . . . . 0.0 110.217 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.5 p -93.53 178.79 5.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.858 . . . . 0.0 110.194 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -33.22 74.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.88 95.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.336 -0.852 . . . . 0.0 110.166 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -65.91 -48.2 72.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.373 -0.829 . . . . 0.0 110.197 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.72 -29.67 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.375 -0.828 . . . . 0.0 110.046 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -48.94 56.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.315 -0.866 . . . . 0.0 110.053 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.51 -30.12 70.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.44 -0.788 . . . . 0.0 110.104 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.6 ttp -74.43 -32.17 62.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.344 -0.847 . . . . 0.0 110.029 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.782 HD21 HD22 ' A' ' 105' ' ' LEU . 22.5 mt -69.88 -40.89 75.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.452 -0.78 . . . . 0.0 110.195 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -61.91 -31.13 71.4 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.396 -0.815 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -80.0 -43.63 21.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.276 -0.89 . . . . 0.0 110.377 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.603 HG12 HG23 ' A' ' 135' ' ' ILE . 61.5 t -81.92 -56.19 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.385 -0.822 . . . . 0.0 110.25 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t -59.43 108.79 0.76 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.316 -0.865 . . . . 0.0 110.405 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -105.64 -39.69 6.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.325 -0.86 . . . . 0.0 110.103 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 132' ' ' SER . . . -84.54 -8.55 82.95 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 131' ' ' GLY . 1.1 t 70.21 -4.18 1.62 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.394 -1.062 . . . . 0.0 111.256 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.83 -77.15 1.26 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -109.69 146.76 34.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.463 -1.021 . . . . 0.0 110.149 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.603 HG23 HG12 ' A' ' 128' ' ' VAL . 83.9 mt -113.56 153.27 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.313 -0.867 . . . . 0.0 110.192 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -93.61 117.65 30.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.311 -0.868 . . . . 0.0 110.235 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' A' ' 89' ' ' PHE . 25.2 pt -60.4 -20.2 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.383 -0.823 . . . . 0.0 110.493 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.23 -52.8 64.07 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.308 -0.87 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -68.86 -40.47 79.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.346 -0.846 . . . . 0.0 110.178 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.525 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -66.55 -45.7 78.5 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.299 -0.875 . . . . 0.0 110.21 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.43 72.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.852 . . . . 0.0 110.161 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.16 62.44 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.261 -0.899 . . . . 0.0 110.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 mt -68.74 -32.3 71.98 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.32 -0.863 . . . . 0.0 110.095 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.8 mt -78.38 -28.18 46.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.857 . . . . 0.0 110.292 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.8 t -120.12 -66.5 1.06 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.366 -0.834 . . . . 0.0 110.289 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.213 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.22 0.533 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.55 -154.28 0.49 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.323 -0.861 . . . . 0.0 110.105 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -57.67 162.07 3.29 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.255 -0.903 . . . . 0.0 110.344 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.445 HD22 ' HE2' ' A' ' 12' ' ' PHE . 46.2 mt -71.45 151.39 44.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 0.0 110.325 -179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.541 ' O ' HD12 ' A' ' 9' ' ' ILE . 5.1 p -112.88 177.61 4.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.5 -0.75 . . . . 0.0 109.858 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.85 -32.63 72.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.31 -0.869 . . . . 0.0 110.179 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -70.35 -45.72 65.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.853 . . . . 0.0 109.969 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -68.74 -40.43 79.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.387 -0.82 . . . . 0.0 109.982 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 5' ' ' THR . 38.0 mt -67.35 -30.12 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -0.846 . . . . 0.0 109.862 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.28 69.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.401 -0.812 . . . . 0.0 109.903 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -66.06 -49.18 68.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.426 -0.796 . . . . 0.0 110.037 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' HE2' HD22 ' A' ' 4' ' ' LEU . 25.6 m-85 -60.39 -38.04 82.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.314 -0.866 . . . . 0.0 110.019 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.0 ttmt -60.85 -39.64 89.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.385 -0.822 . . . . 0.0 110.062 179.752 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -62.35 -50.22 72.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.43 -0.793 . . . . 0.0 109.998 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.84 -34.08 71.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.419 -0.801 . . . . 0.0 110.043 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -68.86 -39.55 79.8 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.381 -0.825 . . . . 0.0 110.068 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.69 65.67 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.377 -0.827 . . . . 0.0 110.136 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.19 -31.91 71.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.34 -0.85 . . . . 0.0 110.181 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' HG22 ' A' ' 27' ' ' ILE . 88.7 m-85 -111.35 30.57 6.81 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -110.98 172.73 6.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.389 -0.819 . . . . 0.0 110.087 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -73.0 -69.62 0.41 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.335 -0.853 . . . . 0.0 110.249 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -166.63 -68.61 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.377 -0.827 . . . . 0.0 110.226 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -116.44 -11.66 11.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.405 -0.809 . . . . 0.0 110.571 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -58.79 -62.98 1.47 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.166 -0.959 . . . . 0.0 110.243 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.69 49.56 1.95 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 p -153.57 140.37 19.07 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.367 -1.078 . . . . 0.0 110.214 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 19' ' ' PHE . 45.3 pt -122.75 153.56 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.336 -0.852 . . . . 0.0 110.176 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 m -83.46 160.15 21.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.366 -0.834 . . . . 0.0 110.304 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -36.68 71.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.377 -0.827 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.4 p -58.39 -31.77 67.98 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.375 -0.828 . . . . 0.0 110.262 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 35' ' ' VAL . 21.2 mt-10 -89.49 -17.59 28.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.424 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.53 -52.64 64.02 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.277 -0.889 . . . . 0.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.82 72.53 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.332 -0.855 . . . . 0.0 110.162 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.5 m -69.66 -38.95 77.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.345 -0.847 . . . . 0.0 110.011 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 31' ' ' GLU . 93.6 t -61.36 -38.54 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.382 -0.824 . . . . 0.0 109.843 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 61.0 mtt -70.3 -34.03 72.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.379 -0.826 . . . . 0.0 109.981 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -64.86 -33.2 75.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.418 -0.801 . . . . 0.0 110.013 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.52 -34.75 40.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.391 -0.818 . . . . 0.0 110.232 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.8 mt -64.7 -24.83 67.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.391 -0.818 . . . . 0.0 110.152 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.54 37.09 0.7 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -125.7 176.05 7.18 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -1.077 . . . . 0.0 110.187 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -167.28 64.83 0.75 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.364 -0.835 . . . . 0.0 110.161 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -74.53 137.43 22.86 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.767 1.404 . . . . 0.0 110.453 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.4 m -63.22 178.99 0.45 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.426 -0.796 . . . . 0.0 110.052 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.46 -31.48 72.21 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.258 -0.901 . . . . 0.0 110.059 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.49 91.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.41 -0.806 . . . . 0.0 110.112 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.73 -42.66 90.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.346 -0.846 . . . . 0.0 109.955 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 44' ' ' SER . 57.4 t -62.54 -37.71 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.437 -0.789 . . . . 0.0 109.881 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -64.26 -38.23 90.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.497 -0.752 . . . . 0.0 109.981 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -62.06 -48.26 81.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 0.0 110.045 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.484 ' O ' HD12 ' A' ' 55' ' ' ILE . 9.3 mt -61.55 -45.08 95.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.371 -0.83 . . . . 0.0 110.072 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.2 mtt -66.54 -28.1 68.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.353 -0.842 . . . . 0.0 109.958 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -66.46 -39.63 88.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.413 -0.804 . . . . 0.0 109.977 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -74.55 -29.58 61.42 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 110.013 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 57' ' ' VAL . 11.3 mt -87.32 -60.87 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.417 -0.802 . . . . 0.0 109.98 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -61.97 91.17 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.351 -0.843 . . . . 0.0 110.343 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 55' ' ' ILE . 84.3 t -103.57 -65.69 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.505 -0.747 . . . . 0.0 109.968 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -91.33 -149.11 0.23 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.425 -0.797 . . . . 0.0 109.937 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.8 13.9 63.13 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -173.76 117.86 0.26 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.072 -1.252 . . . . 0.0 110.184 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -149.54 92.93 1.99 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.308 -0.87 . . . . 0.0 110.182 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -80.5 140.66 35.77 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.376 -0.828 . . . . 0.0 110.044 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.517 HD11 HD13 ' A' ' 55' ' ' ILE . 76.0 mt -84.36 118.14 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.376 -0.828 . . . . 0.0 110.294 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -85.99 160.12 19.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.42 -0.8 . . . . 0.0 110.0 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.759 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.6 t80 -56.53 -26.43 54.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.331 -0.856 . . . . 0.0 110.404 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.5 p -72.93 -50.81 21.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.351 -0.843 . . . . 0.0 110.073 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.78 -29.24 69.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.824 . . . . 0.0 110.191 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -71.19 -48.75 49.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.401 -0.812 . . . . 0.0 110.171 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.759 HD11 ' CE2' ' A' ' 65' ' ' PHE . 40.6 mt -60.2 -32.74 71.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.367 -0.833 . . . . 0.0 110.067 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.64 -48.18 49.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -0.831 . . . . 0.0 110.101 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.32 -39.4 86.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.311 -0.868 . . . . 0.0 110.031 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.0 mmm -67.3 -33.15 74.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.33 -0.856 . . . . 0.0 109.925 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.414 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 14.3 t -64.07 -41.79 97.21 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.109 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -66.61 -38.44 86.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.368 -0.832 . . . . 0.0 109.995 -179.889 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 5.0 mm100 -80.95 -37.92 28.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.462 -0.774 . . . . 0.0 110.37 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.9 mt -68.3 -35.37 77.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.336 -0.852 . . . . 0.0 110.246 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 73' ' ' SER . 0.3 OUTLIER -97.82 174.38 6.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.336 -0.853 . . . . 0.0 110.316 -179.856 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.8 m -160.58 28.52 0.16 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.418 -0.801 . . . . 0.0 110.145 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -153.41 -167.85 2.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.423 -0.798 . . . . 0.0 110.086 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.62 -167.17 2.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.855 . . . . 0.0 110.263 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.6 p -74.24 -9.83 58.99 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.475 -0.766 . . . . 0.0 110.503 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.536 ' HG2' HD11 ' A' ' 86' ' ' LEU . 22.8 tt0 -51.98 -53.15 44.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.185 -0.947 . . . . 0.0 110.568 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.505 ' HA ' HD12 ' A' ' 86' ' ' LEU . 5.6 mm-40 -52.91 -43.65 66.36 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.319 -0.863 . . . . 0.0 110.392 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -64.51 -44.37 91.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.308 -0.87 . . . . 0.0 109.93 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.433 HD21 HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -62.71 -40.41 97.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 0.0 110.046 179.868 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.536 HD11 ' HG2' ' A' ' 82' ' ' GLU . 26.1 mt -63.12 -31.85 73.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.01 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.19 -50.16 61.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.07 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.73 92.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.329 -0.857 . . . . 0.0 110.134 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.639 ' HB3' HD13 ' A' ' 137' ' ' ILE . 10.8 m-85 -62.38 -32.9 73.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.396 -0.815 . . . . 0.0 110.116 179.9 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -64.06 -43.5 95.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.376 -0.827 . . . . 0.0 110.097 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.41 -45.65 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 110.082 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.486 ' CZ ' HG22 ' A' ' 108' ' ' VAL . 11.2 m-85 -64.92 -28.95 69.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 110.123 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 95' ' ' ASN . 5.7 t0 -61.84 -28.16 69.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.39 -0.819 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 -68.69 0.11 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.718 . . . . 0.0 110.649 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' ASP . 5.5 m120 -72.25 -76.08 0.12 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.237 -0.914 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.31 45.92 0.05 OUTLIER Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -119.98 7.12 10.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.376 -1.073 . . . . 0.0 110.53 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.68 53.35 46.03 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.1 mt -146.8 112.36 5.61 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.356 -1.085 . . . . 0.0 110.345 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.659 HD11 HD12 ' A' ' 105' ' ' LEU . 41.5 pt -132.28 160.2 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 t -79.93 160.19 26.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.289 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.99 -35.31 69.04 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.336 -0.853 . . . . 0.0 110.227 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.71 -50.02 72.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.095 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.747 ' O ' HG23 ' A' ' 108' ' ' VAL . 10.5 mt-10 -64.17 -35.52 81.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.369 -0.832 . . . . 0.0 109.936 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.792 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -66.21 -39.49 89.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.408 -0.808 . . . . 0.0 110.001 179.783 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -46.95 77.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.362 -0.836 . . . . 0.0 110.185 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -59.97 -33.12 71.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.0 t -75.74 -38.35 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.429 -0.795 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -68.88 -26.69 65.25 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.293 -0.879 . . . . 0.0 110.168 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.6 m -79.11 -30.46 43.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.32 -0.862 . . . . 0.0 110.216 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 m -76.48 -37.35 56.99 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.292 -0.88 . . . . 0.0 110.228 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.433 HD13 HD21 ' A' ' 85' ' ' LEU . 71.8 mt -62.04 -26.92 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.134 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.13 37.13 19.41 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.92 -7.22 52.92 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.313 -1.11 . . . . 0.0 110.483 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.65 43.28 30.43 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.174 -0.954 . . . . 0.0 110.367 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 120' ' ' GLU . 7.4 mt -96.79 115.64 27.78 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.113 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.8 p -62.19 165.18 6.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.37 -0.831 . . . . 0.0 110.124 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.3 -33.66 75.09 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.287 -0.883 . . . . 0.0 110.249 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.13 81.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.2 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.464 ' HB3' HD22 ' A' ' 116' ' ' LEU . 5.6 mm-40 -66.28 -51.33 58.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.412 -0.805 . . . . 0.0 110.142 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.57 -29.55 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.39 -0.819 . . . . 0.0 110.122 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.22 -41.05 86.39 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.171 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.28 -28.03 62.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.329 -0.857 . . . . 0.0 110.188 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.544 ' HG2' HD13 ' A' ' 143' ' ' LEU . 4.8 mtp -79.75 -31.23 40.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.384 -0.822 . . . . 0.0 110.173 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.0 mt -72.55 -42.27 64.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.283 -0.886 . . . . 0.0 110.149 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -66.15 -34.27 77.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.371 -0.831 . . . . 0.0 110.165 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -80.03 -29.25 39.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.402 -0.811 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 124' ' ' MET . 63.8 t -94.53 -61.81 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.407 -0.808 . . . . 0.0 110.122 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.4 t -61.4 139.31 58.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.32 -0.862 . . . . 0.0 110.208 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -129.32 -45.05 1.23 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.303 -0.873 . . . . 0.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.54 78.46 0.02 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.2 t -147.26 -53.76 0.22 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.334 -1.098 . . . . 0.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 164.47 -77.04 0.15 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -108.8 156.07 20.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.34 -1.094 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 83.5 mt -96.83 159.95 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.373 -0.829 . . . . 0.0 110.184 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -89.06 133.39 34.38 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.355 -0.841 . . . . 0.0 110.254 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 89' ' ' PHE . 4.6 pt -76.72 -17.89 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.355 -0.84 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -57.11 14.03 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.243 -0.911 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -63.21 -41.19 99.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.306 -0.871 . . . . 0.0 110.202 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.792 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -67.88 -39.69 83.66 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.35 -0.844 . . . . 0.0 110.096 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.86 -31.53 72.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.351 -0.843 . . . . 0.0 110.212 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.64 -34.58 40.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.544 HD13 ' HG2' ' A' ' 124' ' ' MET . 10.3 mt -65.52 -32.78 74.57 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.397 -0.814 . . . . 0.0 110.198 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.482 HD21 ' HE1' ' A' ' 124' ' ' MET . 84.9 mt -80.04 -48.35 13.43 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.369 -0.832 . . . . 0.0 110.235 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.8 m -72.85 -64.27 1.0 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.388 -0.82 . . . . 0.0 110.191 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.224 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.163 0.506 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -73.17 -35.73 66.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.364 -0.835 . . . . 0.0 110.144 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -98.86 132.24 44.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.32 -0.863 . . . . 0.0 110.223 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 69' ' ' LEU . 5.9 mt -57.97 151.03 19.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.337 -0.852 . . . . 0.0 110.352 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -82.96 170.66 14.68 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.431 -0.793 . . . . 0.0 110.09 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.91 -40.95 95.07 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.288 -0.883 . . . . 0.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.83 -45.26 93.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.294 -0.879 . . . . 0.0 110.083 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.4 mm100 -67.9 -45.03 75.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 110.088 179.868 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.544 HD11 ' O ' ' A' ' 4' ' ' LEU . 64.9 mt -67.09 -29.11 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.307 -0.871 . . . . 0.0 110.031 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.24 -38.27 78.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.387 -0.821 . . . . 0.0 110.036 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.42 -47.38 70.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.421 -0.8 . . . . 0.0 110.189 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.441 ' HE2' HD22 ' A' ' 4' ' ' LEU . 22.4 m-85 -62.6 -35.33 79.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.349 -0.845 . . . . 0.0 109.99 179.798 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.63 -42.87 99.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.371 -0.831 . . . . 0.0 110.223 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.75 -46.34 88.51 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.337 -0.852 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.48 -27.82 62.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.287 -0.883 . . . . 0.0 110.294 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' A' ' 27' ' ' ILE . 8.8 t80 -79.29 -35.3 41.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.269 -0.894 . . . . 0.0 110.265 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.64 -28.32 60.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.865 . . . . 0.0 110.149 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 18' ' ' LEU . 18.4 mt -64.78 -36.61 84.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.387 -0.821 . . . . 0.0 110.174 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -99.96 23.71 9.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.389 -0.819 . . . . 0.0 110.183 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -133.98 161.09 35.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.32 -0.862 . . . . 0.0 110.138 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.89 8.92 26.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.455 -0.778 . . . . 0.0 110.598 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.11 25.42 3.23 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.287 -0.883 . . . . 0.0 110.589 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -118.44 -47.86 2.53 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.368 -0.832 . . . . 0.0 110.018 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -94.18 -27.71 16.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.298 -0.876 . . . . 0.0 110.09 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.24 46.22 7.09 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -160.0 153.63 22.59 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.318 -1.107 . . . . 0.0 110.305 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.57 HG23 ' CE1' ' A' ' 16' ' ' PHE . 38.8 pt -125.21 160.16 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.418 -0.801 . . . . 0.0 110.134 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -79.98 159.98 26.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.305 -0.872 . . . . 0.0 110.316 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -63.76 -40.09 95.86 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.43 -0.794 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 t -56.53 -26.89 56.13 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.437 -0.789 . . . . 0.0 110.401 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.832 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.9 mt-10 -90.78 -18.84 24.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.298 -0.876 . . . . 0.0 110.324 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 63' ' ' ILE . 60.9 tp -55.82 -52.39 64.16 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.28 -0.887 . . . . 0.0 110.373 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.03 82.89 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.345 -0.847 . . . . 0.0 110.153 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.3 m -68.09 -40.09 82.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 110.036 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 31' ' ' GLU . 92.0 t -61.12 -34.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.301 -0.874 . . . . 0.0 109.918 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.9 mtt -70.24 -39.23 75.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.455 -0.778 . . . . 0.0 109.903 179.757 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -63.72 -35.41 80.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.403 -0.811 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -34.86 52.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.386 -0.821 . . . . 0.0 110.057 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.71 -23.99 66.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.17 32.9 1.19 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.8 mt -122.21 178.28 5.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -1.117 . . . . 0.0 110.23 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -169.77 67.76 0.59 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.377 -0.827 . . . . 0.0 110.098 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.48 140.49 30.1 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.781 1.411 . . . . 0.0 110.572 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.06 168.99 2.92 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.357 -0.839 . . . . 0.0 110.047 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -59.96 -26.75 66.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.322 -0.861 . . . . 0.0 110.171 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.53 -42.64 70.95 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.418 -0.801 . . . . 0.0 110.086 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -65.56 -40.31 92.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.846 . . . . 0.0 109.989 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.5 t -63.11 -40.25 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.384 -0.822 . . . . 0.0 109.901 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -61.16 -42.88 99.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.414 -0.804 . . . . 0.0 110.021 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.35 -48.85 79.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.417 -0.802 . . . . 0.0 110.076 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.08 -44.42 95.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.383 -0.823 . . . . 0.0 109.988 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.5 mtt -68.0 -29.72 68.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.395 -0.816 . . . . 0.0 109.857 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -65.31 -37.2 86.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.416 -0.803 . . . . 0.0 109.819 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -77.49 -38.25 49.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.415 -0.803 . . . . 0.0 109.857 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.409 HG23 ' CD2' ' A' ' 61' ' ' HIS . 47.6 mt -81.75 -65.68 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.412 -0.805 . . . . 0.0 109.876 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -65.08 90.78 0.09 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.431 -0.793 . . . . 0.0 110.222 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.59 -60.11 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.34 -0.85 . . . . 0.0 110.095 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -101.77 -40.88 6.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.412 -0.805 . . . . 0.0 110.262 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.37 -32.07 0.18 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -116.91 107.62 14.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.289 -1.124 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.409 ' CD2' HG23 ' A' ' 55' ' ' ILE . 5.4 t60 -143.74 122.69 12.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.317 -0.864 . . . . 0.0 110.152 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -90.65 124.56 35.17 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.363 -0.836 . . . . 0.0 110.223 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CD1' HD22 ' A' ' 32' ' ' LEU . 71.9 mt -82.32 130.75 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.352 -0.843 . . . . 0.0 110.166 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -91.03 159.96 15.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 0.0 110.132 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.818 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.0 t80 -58.91 -27.73 65.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.346 -0.846 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 t -69.76 -55.39 10.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.37 -0.831 . . . . 0.0 110.09 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.12 -32.51 73.91 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.321 -0.862 . . . . 0.0 110.082 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -66.32 -49.42 67.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.41 -0.806 . . . . 0.0 110.121 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.818 HD11 ' CE2' ' A' ' 65' ' ' PHE . 37.1 mt -59.91 -32.66 70.97 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.368 -0.833 . . . . 0.0 110.173 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.0 -49.79 41.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.445 -0.785 . . . . 0.0 110.092 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.46 -35.73 80.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.381 -0.825 . . . . 0.0 109.985 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.738 ' O ' HD12 ' A' ' 76' ' ' LEU . 89.3 mmm -66.8 -44.42 81.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.359 -0.838 . . . . 0.0 110.058 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 t -61.48 -42.56 98.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.409 -0.807 . . . . 0.0 110.034 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -62.52 -28.65 70.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 110.153 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -92.4 -29.69 16.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.452 -0.78 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 72' ' ' MET . 5.7 mt -87.16 -27.44 23.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.852 . . . . 0.0 110.364 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.23 110.58 21.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 110.138 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.5 t -114.68 -28.91 6.96 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.435 -0.791 . . . . 0.0 110.201 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -138.01 139.35 39.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.369 -0.832 . . . . 0.0 110.217 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.05 -166.47 2.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.384 -0.823 . . . . 0.0 110.187 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.4 m -72.72 -44.78 61.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.325 -0.86 . . . . 0.0 110.193 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 86' ' ' LEU . 12.1 pt-20 -57.49 -36.63 71.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.367 -0.833 . . . . 0.0 110.401 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -64.08 -42.76 96.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.153 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -59.95 -41.59 92.21 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.279 -0.888 . . . . 0.0 110.176 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.15 -49.46 77.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 109.868 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 82' ' ' GLU . 4.0 mt -67.21 -27.28 67.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.424 -0.797 . . . . 0.0 109.757 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.4 tt0 -70.25 -38.52 75.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.438 -0.789 . . . . 0.0 109.954 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.01 -44.66 53.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.389 -0.819 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.509 ' HB3' HD13 ' A' ' 137' ' ' ILE . 16.3 m-85 -62.9 -37.92 88.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.322 -0.861 . . . . 0.0 110.058 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -65.72 -43.56 88.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 110.109 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 87' ' ' GLU . 66.3 t -64.65 -27.48 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.415 -0.803 . . . . 0.0 110.064 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -78.84 -36.06 43.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.374 -0.829 . . . . 0.0 110.217 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.03 145.51 27.66 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.293 -0.879 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 96' ' ' GLY . 0.2 OUTLIER -72.12 144.19 48.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.362 -0.837 . . . . 0.0 110.218 179.896 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 65.28 -69.5 0.1 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.545 -0.722 . . . . 0.0 110.611 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 145.1 45.94 0.04 OUTLIER Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -45.03 14.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.307 -1.114 . . . . 0.0 110.211 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.23 32.37 4.33 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.2 mt -126.17 102.31 7.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -1.042 . . . . 0.0 110.236 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.9 pt -124.88 160.26 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.358 -0.839 . . . . 0.0 110.209 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.8 m -79.82 160.24 26.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.308 -0.87 . . . . 0.0 110.145 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.4 -30.77 41.77 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.317 -0.864 . . . . 0.0 110.478 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.15 -53.13 54.36 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.376 -0.827 . . . . 0.0 110.039 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.784 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.6 mt-10 -60.52 -40.47 91.59 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.342 -0.849 . . . . 0.0 110.031 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.78 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -62.56 -39.83 94.9 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.354 -0.841 . . . . 0.0 110.129 179.913 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -65.03 -47.05 78.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.411 -0.805 . . . . 0.0 110.124 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -61.85 -28.45 69.5 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.415 -0.803 . . . . 0.0 110.157 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 104' ' ' GLU . 90.0 t -77.46 -44.01 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.399 -0.813 . . . . 0.0 110.158 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -32.7 70.52 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.349 -0.844 . . . . 0.0 110.272 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.8 m -79.93 -32.63 40.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.381 -0.825 . . . . 0.0 110.217 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -72.38 -38.37 68.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 0.0 110.264 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.641 HD11 HG12 ' A' ' 108' ' ' VAL . 57.0 mt -63.54 -27.23 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.319 -0.863 . . . . 0.0 110.122 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.12 40.25 11.76 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 116' ' ' LEU . 3.2 mm-40 -85.31 4.07 36.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.398 -1.06 . . . . 0.0 110.571 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.585 ' O ' ' C ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER 67.69 -64.48 0.27 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.446 -0.784 . . . . 0.0 110.343 -179.643 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.585 ' C ' ' O ' ' A' ' 115' ' ' LYS . 15.3 mt 11.77 98.14 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 121.218 0.532 . . . . 0.0 112.334 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.4 p -56.72 165.64 1.14 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.335 -0.853 . . . . 0.0 110.27 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -60.24 -30.37 69.37 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.305 -0.872 . . . . 0.0 110.202 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.18 -32.54 73.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.349 -0.845 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.434 ' HB3' HD22 ' A' ' 116' ' ' LEU . 5.1 mm-40 -66.9 -52.0 48.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.379 -0.826 . . . . 0.0 110.115 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.423 HG12 HD12 ' A' ' 125' ' ' LEU . 93.8 t -61.55 -27.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.93 179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -69.72 -47.79 61.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.378 -0.826 . . . . 0.0 109.954 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.81 -37.21 81.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.327 -0.858 . . . . 0.0 109.971 179.764 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.619 ' HE1' HD21 ' A' ' 144' ' ' LEU . 1.6 mtp -71.4 -36.72 71.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.418 -0.801 . . . . 0.0 109.93 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.423 HD12 HG12 ' A' ' 121' ' ' VAL . 7.4 mt -61.54 -43.27 99.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.444 -0.785 . . . . 0.0 110.021 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -55.13 -48.94 72.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.362 -0.836 . . . . 0.0 109.763 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -69.87 -21.9 63.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.775 . . . . 0.0 109.677 179.15 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.715 HG11 ' HD2' ' A' ' 140' ' ' PHE . 82.9 t -112.2 50.77 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.237 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.0 p -146.84 28.05 1.05 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.932 -1.105 . . . . 0.0 110.331 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.74 58.01 1.62 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.37 -0.832 . . . . 0.0 110.182 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -135.62 -88.93 0.27 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.5 t -166.25 -68.1 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.296 -1.12 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.81 30.51 1.24 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -155.06 160.11 40.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.343 -1.092 . . . . 0.0 110.137 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.612 HG23 HG12 ' A' ' 128' ' ' VAL . 83.8 mt -133.35 159.64 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.374 -0.829 . . . . 0.0 110.153 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.515 ' HB3' ' NE2' ' A' ' 139' ' ' GLN . 9.6 t-20 -104.53 141.19 36.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.395 -0.816 . . . . 0.0 110.257 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.509 HD13 ' HB3' ' A' ' 89' ' ' PHE . 13.0 pt -80.04 -20.24 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.404 -0.81 . . . . 0.0 110.613 -179.841 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.49 -66.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.111 -0.993 . . . . 0.0 110.428 -179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.515 ' NE2' ' HB3' ' A' ' 136' ' ' ASN . 3.5 pt20 -55.38 -44.01 75.68 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.222 -0.923 . . . . 0.0 110.528 -179.79 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.78 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 1.4 t80 -61.09 -51.29 69.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -0.865 . . . . 0.0 110.08 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.27 -28.79 67.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.384 -0.822 . . . . 0.0 110.132 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.52 -38.4 55.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.451 -0.781 . . . . 0.0 109.996 179.831 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.14 -37.06 81.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 110.086 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.619 HD21 ' HE1' ' A' ' 124' ' ' MET . 87.7 mt -73.28 -24.3 60.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.433 -0.792 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 20.9 m -80.83 -74.89 0.3 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 110.233 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.234 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.2 p . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.222 0.534 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -130.93 -55.17 1.05 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.174 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -90.19 137.87 31.99 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.451 -0.781 . . . . 0.0 110.204 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.698 HD22 ' HE2' ' A' ' 12' ' ' PHE . 10.9 mt -58.66 161.44 4.69 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.358 -0.838 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -103.98 168.5 9.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.382 -0.824 . . . . 0.0 110.201 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.0 -42.85 81.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.385 -0.822 . . . . 0.0 110.287 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.0 -48.65 79.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.395 -0.816 . . . . 0.0 109.696 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.435 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.3 mt-30 -65.22 -46.78 79.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.452 -0.78 . . . . 0.0 109.809 179.565 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.5 mt -62.12 -28.42 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 109.919 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.65 77.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.293 -0.879 . . . . 0.0 109.748 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.5 -49.67 65.79 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.403 -0.811 . . . . 0.0 110.292 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.698 ' HE2' HD22 ' A' ' 4' ' ' LEU . 15.1 m-85 -60.55 -31.3 70.41 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.232 -0.918 . . . . 0.0 109.671 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.7 ttmm -65.55 -43.16 90.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.459 -0.776 . . . . 0.0 110.08 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.23 -44.15 97.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.442 -0.786 . . . . 0.0 110.17 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.58 -28.3 61.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.355 -0.84 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -77.23 -41.82 39.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.216 -0.927 . . . . 0.0 110.152 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.56 -27.71 64.34 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.374 -0.829 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 18' ' ' LEU . 15.7 mt -65.3 -31.5 72.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -103.48 25.04 10.14 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.278 -0.889 . . . . 0.0 110.407 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -112.45 -88.96 0.53 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.268 -0.895 . . . . 0.0 110.046 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp 50.02 77.99 0.11 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.135 -0.978 . . . . 0.0 110.657 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -162.55 -68.04 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.355 -0.84 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -168.35 -64.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 0.0 110.24 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -103.62 156.12 18.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.327 -0.858 . . . . 0.0 110.218 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 92.21 0.12 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p -158.75 144.51 16.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -1.127 . . . . 0.0 110.264 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.8 pt -130.18 158.99 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.32 -0.863 . . . . 0.0 110.203 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 m -84.59 159.93 20.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.391 -0.818 . . . . 0.0 110.136 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -34.99 76.1 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.432 -0.793 . . . . 0.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -27.01 62.14 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.389 -0.819 . . . . 0.0 110.43 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.805 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.9 mt-10 -93.87 -19.32 21.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.493 HD11 ' CE ' ' A' ' 36' ' ' MET . 48.8 tp -52.66 -56.22 17.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.274 -0.891 . . . . 0.0 110.496 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.38 79.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.314 -0.866 . . . . 0.0 110.185 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.1 m -69.31 -40.03 77.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.298 -0.876 . . . . 0.0 110.143 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 31' ' ' GLU . 87.0 t -61.61 -32.49 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.385 -0.822 . . . . 0.0 109.831 179.843 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 32' ' ' LEU . 13.8 mtt -74.12 -35.75 64.15 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.406 -0.809 . . . . 0.0 109.788 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -34.23 77.92 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.475 -0.765 . . . . 0.0 110.1 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -78.45 -34.96 47.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.425 -0.797 . . . . 0.0 110.178 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 39' ' ' LEU . 11.9 mt -67.21 -24.97 65.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 110.254 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.14 36.67 0.85 Allowed Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.1 mt -121.64 172.76 7.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.309 -1.113 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -166.25 67.6 1.05 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.366 -0.834 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.45 138.5 24.57 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.767 1.404 . . . . 0.0 110.447 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -61.12 169.88 1.87 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.294 -0.879 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.48 -28.95 67.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.279 -0.888 . . . . 0.0 110.102 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.57 68.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.839 . . . . 0.0 109.923 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.79 -40.29 96.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.316 -0.865 . . . . 0.0 109.898 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.82 -47.59 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.381 -0.824 . . . . 0.0 109.857 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -44.98 69.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.32 -0.863 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -57.16 -47.45 81.18 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.299 -0.876 . . . . 0.0 109.936 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.63 -51.88 56.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.483 -0.761 . . . . 0.0 109.821 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.7 -24.37 67.75 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.398 -0.814 . . . . 0.0 110.114 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -69.66 -39.51 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.881 . . . . 0.0 109.596 179.512 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -77.21 -33.52 56.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.364 -0.835 . . . . 0.0 109.776 179.6 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.413 HG23 ' CD2' ' A' ' 61' ' ' HIS . 31.1 mt -87.73 -65.15 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.438 -0.789 . . . . 0.0 109.694 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.41 96.74 0.17 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.439 -0.788 . . . . 0.0 110.124 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' ILE . 89.5 t -82.06 -38.16 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.303 -0.873 . . . . 0.0 110.199 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.78 51.42 1.82 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.326 -0.859 . . . . 0.0 110.276 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.39 25.59 67.01 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -169.03 119.03 0.71 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.281 -1.129 . . . . 0.0 110.14 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.413 ' CD2' HG23 ' A' ' 55' ' ' ILE . 6.9 t60 -168.94 125.52 0.95 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.272 -0.892 . . . . 0.0 110.254 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -89.58 118.0 28.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.381 -0.824 . . . . 0.0 110.043 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.8 mt -79.94 136.94 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.397 -0.814 . . . . 0.0 110.238 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.87 160.27 14.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.417 -0.802 . . . . 0.0 110.034 179.824 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 69' ' ' LEU . 7.7 t80 -56.67 -45.17 81.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 110.544 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.5 p -57.49 -44.86 85.29 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.292 -0.88 . . . . 0.0 110.106 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.628 ' O ' HD12 ' A' ' 71' ' ' LEU . 50.1 mt-10 -66.61 -39.53 88.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.377 -0.827 . . . . 0.0 109.585 179.643 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 72' ' ' MET . 49.6 t80 -62.26 -58.31 8.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.593 -0.692 . . . . 0.0 110.081 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.785 HD11 ' CE2' ' A' ' 65' ' ' PHE . 82.9 mt -53.11 -30.75 38.28 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.19 -0.944 . . . . 0.0 110.297 -179.622 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.14 -48.71 12.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.296 -0.877 . . . . 0.0 110.07 179.563 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 67' ' ' GLU . 5.8 mt -73.82 -30.6 62.8 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.373 -0.83 . . . . 0.0 109.635 179.577 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.602 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -77.14 -36.2 55.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.594 -0.691 . . . . 0.0 109.693 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.436 ' HB2' HD11 ' A' ' 4' ' ' LEU . 19.7 t -70.28 -35.39 73.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.604 -0.685 . . . . 0.0 110.021 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 0.4 OUTLIER -63.5 -38.85 92.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.412 -0.805 . . . . 0.0 109.846 179.865 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 2.6 mm-40 -67.24 -41.47 85.6 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.499 -0.751 . . . . 0.0 110.121 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 72' ' ' MET . 2.4 mt -66.86 -27.96 67.95 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.234 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.72 143.33 56.37 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.345 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -167.95 131.08 1.59 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.415 -0.803 . . . . 0.0 110.079 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -159.0 91.94 1.07 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.325 -0.859 . . . . 0.0 110.198 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -169.01 165.47 11.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.265 -0.897 . . . . 0.0 110.242 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -61.42 2.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.399 -0.813 . . . . 0.0 110.154 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.8 -34.48 67.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.371 -0.83 . . . . 0.0 110.259 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -66.99 -36.91 83.23 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.346 -0.846 . . . . 0.0 110.001 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.14 -47.15 83.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.417 -0.802 . . . . 0.0 110.076 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.2 -41.25 98.19 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.373 -0.829 . . . . 0.0 110.074 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.88 -35.06 78.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.39 -0.819 . . . . 0.0 110.126 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -65.36 -48.68 72.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.339 -0.851 . . . . 0.0 110.06 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.37 -47.38 85.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.356 -0.84 . . . . 0.0 110.24 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.623 ' HB3' HD13 ' A' ' 137' ' ' ILE . 13.7 m-85 -61.8 -26.79 68.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.339 -0.851 . . . . 0.0 110.186 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -76.81 -41.04 45.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.332 -0.855 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 87' ' ' GLU . 79.4 t -60.96 -41.53 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.379 -0.825 . . . . 0.0 110.141 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.535 ' CZ ' HG22 ' A' ' 108' ' ' VAL . 11.0 m-85 -65.4 -26.47 68.0 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.419 -0.801 . . . . 0.0 110.208 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.99 166.15 21.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.334 -0.853 . . . . 0.0 110.169 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -133.27 30.44 3.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.377 -0.827 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -135.27 -51.17 0.76 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.44 -0.788 . . . . 0.0 110.246 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.04 -30.69 3.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -64.88 -48.13 75.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -1.088 . . . . 0.0 110.241 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.68 66.25 0.34 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 134' ' ' GLU . 4.5 mt -134.17 104.11 6.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.401 -1.058 . . . . 0.0 110.232 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 105' ' ' LEU . 35.8 pt -115.53 160.4 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.853 . . . . 0.0 110.222 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.5 m -79.59 160.2 26.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.848 . . . . 0.0 110.257 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.89 -37.52 63.82 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.334 -0.854 . . . . 0.0 110.467 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.19 58.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.832 . . . . 0.0 110.126 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.746 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.9 mt-10 -60.47 -27.72 67.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.325 -0.859 . . . . 0.0 110.145 179.806 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.847 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -68.48 -45.47 72.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.393 -0.817 . . . . 0.0 110.089 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -66.2 -32.4 73.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.386 -0.821 . . . . 0.0 110.079 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -70.77 -31.39 68.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.41 -0.806 . . . . 0.0 110.143 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 104' ' ' GLU . 69.4 t -77.65 -45.26 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.375 -0.828 . . . . 0.0 110.028 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.447 HD22 ' CD1' ' A' ' 116' ' ' LEU . 25.2 mt -61.79 -32.21 72.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.318 -0.864 . . . . 0.0 110.151 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.9 m -80.1 -31.67 39.2 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.359 -0.838 . . . . 0.0 110.217 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 t -71.07 -38.95 72.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.299 -0.876 . . . . 0.0 110.12 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.43 -27.9 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.384 -0.822 . . . . 0.0 110.147 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.69 29.07 24.91 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.27 165.51 23.52 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.299 -1.118 . . . . 0.0 110.058 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -102.71 49.73 0.83 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.304 -0.872 . . . . 0.0 110.226 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.804 HD11 HD22 ' A' ' 144' ' ' LEU . 16.9 mt -95.62 103.39 15.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.888 . . . . 0.0 110.158 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -59.53 166.89 2.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.429 -0.795 . . . . 0.0 110.255 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -30.97 71.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.386 -0.821 . . . . 0.0 110.246 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.76 88.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.379 -0.825 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -67.19 -52.17 44.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.426 -0.796 . . . . 0.0 110.147 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.483 HG12 ' CD1' ' A' ' 125' ' ' LEU . 58.5 t -62.82 -28.85 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.438 -0.789 . . . . 0.0 110.043 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.54 -42.82 64.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.376 -0.828 . . . . 0.0 110.183 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.9 -28.71 62.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.312 -0.868 . . . . 0.0 110.191 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.584 ' O ' HG23 ' A' ' 128' ' ' VAL . 4.6 mtp -78.25 -42.09 32.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.345 -0.847 . . . . 0.0 110.205 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.57 HD21 HD22 ' A' ' 105' ' ' LEU . 54.5 mt -66.5 -33.51 75.86 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.304 -0.873 . . . . 0.0 110.181 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -67.03 -40.8 87.27 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.425 -0.797 . . . . 0.0 110.226 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -79.88 -32.5 40.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.296 -0.877 . . . . 0.0 110.245 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.648 ' CG1' HG23 ' A' ' 135' ' ' ILE . 67.0 t -82.32 -58.17 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.071 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.3 t -63.22 127.36 30.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.139 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.28 44.7 2.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.315 -0.865 . . . . 0.0 110.327 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.07 80.7 0.21 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.5 m -160.01 -42.73 0.05 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -1.059 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.62 25.2 11.02 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.4 ' HB3' HD22 ' A' ' 99' ' ' LEU . 3.9 mt-10 -160.2 137.62 9.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.433 -1.039 . . . . 0.0 110.129 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.648 HG23 ' CG1' ' A' ' 128' ' ' VAL . 83.0 mt -130.1 134.54 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.282 -0.886 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -79.97 129.66 34.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 110.217 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.623 HD13 ' HB3' ' A' ' 89' ' ' PHE . 6.3 pt -69.44 -12.22 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.412 -0.805 . . . . 0.0 110.699 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.43 -66.95 0.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.185 -0.947 . . . . 0.0 110.251 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -55.71 -43.18 76.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.332 -0.855 . . . . 0.0 110.669 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.847 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.79 -45.32 94.86 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.285 -0.885 . . . . 0.0 110.09 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.45 72.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.377 -0.827 . . . . 0.0 110.128 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.93 -34.24 57.67 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.033 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.23 -35.2 79.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.371 -0.83 . . . . 0.0 110.107 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.804 HD22 HD11 ' A' ' 116' ' ' LEU . 89.2 mt -79.93 -32.53 40.09 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.322 -0.861 . . . . 0.0 110.187 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.6 t -74.75 134.88 41.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.399 -0.813 . . . . 0.0 110.177 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.275 179.944 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.24 0.543 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 p -150.29 -166.03 2.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.299 -0.875 . . . . 0.0 110.142 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.0 163.14 10.24 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.355 -0.841 . . . . 0.0 110.154 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.523 ' O ' HD11 ' A' ' 9' ' ' ILE . 12.3 mt -59.82 132.84 55.18 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.292 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p -80.46 175.08 10.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 0.0 110.171 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -60.39 -36.44 78.09 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.321 -0.862 . . . . 0.0 110.195 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.21 -52.38 63.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.3 -0.875 . . . . 0.0 110.052 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -63.29 -43.49 97.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.306 -0.872 . . . . 0.0 110.09 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.523 HD11 ' O ' ' A' ' 4' ' ' LEU . 70.1 mt -66.55 -34.34 69.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -0.901 . . . . 0.0 109.873 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.67 84.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.362 -0.836 . . . . 0.0 109.976 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.38 -49.58 59.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.449 -0.782 . . . . 0.0 109.983 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' HE2' HD22 ' A' ' 4' ' ' LEU . 23.8 m-85 -62.16 -35.3 78.37 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.383 -0.823 . . . . 0.0 109.876 179.76 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HE2' ' CZ ' ' A' ' 65' ' ' PHE . 11.7 ttmm -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.433 -0.792 . . . . 0.0 110.181 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.37 -51.27 68.26 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.323 -0.86 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.26 82.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.362 -0.836 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.844 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.6 t80 -68.59 -46.95 68.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.315 -0.865 . . . . 0.0 110.232 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -27.54 69.39 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.307 -0.871 . . . . 0.0 110.276 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.77 -35.52 80.87 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.437 -0.789 . . . . 0.0 110.21 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.73 27.94 8.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.339 -0.851 . . . . 0.0 110.328 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -97.06 78.91 2.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 110.211 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -63.2 -29.09 70.5 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.367 -0.833 . . . . 0.0 110.134 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.35 -15.59 59.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.398 -0.814 . . . . 0.0 110.415 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 54.1 25.95 6.09 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.186 -0.947 . . . . 0.0 110.404 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -115.72 -31.73 5.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.332 -0.855 . . . . 0.0 110.224 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.49 45.76 0.17 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -159.2 136.07 9.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -1.053 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.844 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -124.55 159.94 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.415 -0.803 . . . . 0.0 110.16 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.71 160.01 25.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.412 -0.805 . . . . 0.0 110.221 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -28.01 68.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.363 -0.836 . . . . 0.0 110.188 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -36.5 80.81 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.381 -0.824 . . . . 0.0 110.136 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.9 mt-10 -83.86 -15.7 47.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.848 . . . . 0.0 110.441 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 tp -54.02 -51.04 65.25 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.263 -0.898 . . . . 0.0 110.482 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.4 91.1 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.301 -0.874 . . . . 0.0 110.135 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.5 m -68.24 -38.45 81.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.339 -0.851 . . . . 0.0 110.181 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.5 t -62.74 -35.08 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.35 -0.844 . . . . 0.0 109.904 179.847 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.7 mtt -72.69 -34.42 67.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.285 -0.884 . . . . 0.0 110.008 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -67.5 -34.88 78.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.404 -0.81 . . . . 0.0 110.167 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -80.12 -33.44 38.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.366 -0.833 . . . . 0.0 110.249 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.579 HD13 ' CE ' ' A' ' 72' ' ' MET . 13.2 mt -63.25 -22.07 66.64 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.368 -0.832 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.78 29.66 1.99 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.7 mt -124.28 178.89 5.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.364 -1.08 . . . . 0.0 110.193 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.4 p -167.38 67.81 0.88 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.389 -0.819 . . . . 0.0 110.174 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.1 139.38 29.58 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.72 1.379 . . . . 0.0 110.377 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.5 167.34 2.64 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.335 -0.853 . . . . 0.0 110.056 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -58.87 -27.58 65.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.293 -0.879 . . . . 0.0 110.23 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.65 80.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.365 -0.834 . . . . 0.0 110.031 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -66.93 -39.89 87.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 0.0 110.089 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.74 -37.01 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.327 -0.858 . . . . 0.0 109.871 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -66.97 -35.98 81.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.338 -0.851 . . . . 0.0 110.153 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.93 -44.27 90.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.385 -0.822 . . . . 0.0 110.077 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.608 HD23 HD22 ' A' ' 71' ' ' LEU . 5.6 mt -69.41 -37.15 77.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.34 -0.85 . . . . 0.0 110.089 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.7 mtt -68.87 -31.01 69.65 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.392 -0.818 . . . . 0.0 110.093 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -70.24 -44.54 68.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 110.14 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.67 -27.96 67.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.373 -0.829 . . . . 0.0 110.088 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.535 ' O ' HG13 ' A' ' 57' ' ' VAL . 2.7 mt -88.02 -53.41 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.837 . . . . 0.0 110.081 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -51.53 114.07 1.15 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.12 -0.988 . . . . 0.0 110.639 -179.604 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.01 HG22 ' HB2' ' A' ' 61' ' ' HIS . 8.4 m -119.07 -33.72 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.398 -0.814 . . . . 0.0 110.509 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.84 14.98 4.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.409 -0.807 . . . . 0.0 110.225 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.45 -6.67 49.86 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -165.7 50.32 0.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.059 -1.259 . . . . 0.0 111.125 -179.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 1.01 ' HB2' HG22 ' A' ' 57' ' ' VAL . 3.2 t-160 -64.28 120.59 12.46 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.107 -0.995 . . . . 0.0 109.367 179.167 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -79.15 121.75 25.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.29 -0.881 . . . . 0.0 109.936 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.432 ' CD1' HD13 ' A' ' 55' ' ' ILE . 77.4 mt -79.77 126.01 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.831 . . . . 0.0 110.333 -179.587 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.5 160.17 16.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.483 -0.76 . . . . 0.0 109.946 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.809 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.5 t80 -55.12 -25.87 34.64 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.31 -0.868 . . . . 0.0 110.433 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 t -70.92 -57.74 4.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.911 . . . . 0.0 110.043 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.04 -29.75 71.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.462 -0.774 . . . . 0.0 110.137 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.45 -48.63 64.03 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.852 . . . . 0.0 110.073 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.809 HD11 ' CE2' ' A' ' 65' ' ' PHE . 38.7 mt -59.66 -34.32 72.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.242 -0.911 . . . . 0.0 109.952 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.22 -51.2 26.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -0.834 . . . . 0.0 110.087 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.608 HD22 HD23 ' A' ' 51' ' ' LEU . 59.0 mt -62.45 -29.45 70.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.383 -0.823 . . . . 0.0 110.069 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.619 ' O ' HD12 ' A' ' 76' ' ' LEU . 81.9 mmm -74.67 -36.49 62.81 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.354 -0.842 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.6 t -65.63 -36.75 84.61 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 0.0 110.198 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -68.12 -38.85 82.71 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.378 -0.826 . . . . 0.0 109.869 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 10.5 mm100 -75.58 -44.51 42.78 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.499 -0.751 . . . . 0.0 110.175 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 72' ' ' MET . 4.6 mt -66.18 -27.41 67.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.27 -0.894 . . . . 0.0 110.191 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -103.26 -165.3 1.15 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.365 -0.835 . . . . 0.0 110.165 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.0 p -98.95 127.98 45.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.348 -0.845 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.07 71.76 7.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.334 -0.854 . . . . 0.0 110.21 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.92 -37.48 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.372 -0.83 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.4 p -52.72 -32.33 42.45 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.319 -0.863 . . . . 0.0 110.524 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.55 -58.51 7.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.249 -0.907 . . . . 0.0 110.095 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -60.82 -29.56 69.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.315 -0.866 . . . . 0.0 110.043 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.65 -39.68 80.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.415 -0.803 . . . . 0.0 109.957 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mt -63.59 -47.86 79.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.393 -0.817 . . . . 0.0 110.073 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.62 -29.31 70.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.456 -0.777 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.1 -46.75 64.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.364 -0.835 . . . . 0.0 110.07 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.9 95.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.311 -0.868 . . . . 0.0 110.062 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.74 ' HB3' HD13 ' A' ' 137' ' ' ILE . 6.6 m-85 -62.53 -30.9 71.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.368 -0.833 . . . . 0.0 110.085 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -67.18 -43.73 81.43 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.404 -0.81 . . . . 0.0 110.129 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.72 -38.24 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -0.839 . . . . 0.0 109.969 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -76.44 -21.12 56.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.424 -0.798 . . . . 0.0 110.347 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -58.78 171.21 0.68 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.274 -0.891 . . . . 0.0 110.308 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -69.7 0.54 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.382 -0.824 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -111.23 -62.83 1.49 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.302 -0.874 . . . . 0.0 110.188 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.18 40.63 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.82 -55.89 2.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -1.1 . . . . 0.0 110.141 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.1 49.16 0.19 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 81.7 mt -132.45 109.72 10.01 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -1.069 . . . . 0.0 110.175 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 pt -131.4 159.56 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.389 -0.819 . . . . 0.0 110.254 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 m -79.86 160.24 26.13 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.385 -0.822 . . . . 0.0 110.267 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.08 -27.74 34.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.388 -0.82 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.46 -52.75 42.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.374 -0.829 . . . . 0.0 110.045 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 108' ' ' VAL . 33.6 mt-10 -62.8 -38.93 92.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.392 -0.817 . . . . 0.0 110.019 179.881 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.761 HD21 ' CE1' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -65.77 -36.43 83.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.42 -0.8 . . . . 0.0 110.164 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -68.77 -35.39 77.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.407 -0.808 . . . . 0.0 110.161 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -69.98 -31.9 69.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.358 -0.839 . . . . 0.0 110.173 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 104' ' ' GLU . 68.6 t -74.38 -38.54 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.288 -0.882 . . . . 0.0 110.085 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.3 -28.77 65.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.391 -0.818 . . . . 0.0 110.145 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.6 m -79.7 -43.23 23.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.351 -0.843 . . . . 0.0 110.17 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.0 m -61.55 -44.01 97.82 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.369 -0.832 . . . . 0.0 110.136 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.1 -27.21 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.303 -0.873 . . . . 0.0 110.071 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.19 31.5 52.0 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.58 175.83 0.43 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.339 -1.095 . . . . 0.0 110.243 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -100.94 60.38 0.94 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.354 -0.841 . . . . 0.0 110.217 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.646 HD11 ' CD2' ' A' ' 144' ' ' LEU . 50.7 mt -127.08 116.48 20.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.282 -0.886 . . . . 0.0 110.251 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.0 p -77.9 -179.21 5.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.407 -0.808 . . . . 0.0 110.123 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.97 -38.46 88.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.351 -0.843 . . . . 0.0 110.151 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.93 87.48 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.41 -0.806 . . . . 0.0 110.091 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -66.59 -51.37 57.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.336 -0.852 . . . . 0.0 110.055 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.415 HG12 HD12 ' A' ' 125' ' ' LEU . 87.9 t -62.26 -27.29 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 109.98 179.835 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -69.25 -44.91 70.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.312 -0.868 . . . . 0.0 110.005 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.47 -35.17 68.15 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.414 -0.804 . . . . 0.0 110.109 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.62 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.2 ttp -72.77 -28.79 62.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.396 -0.815 . . . . 0.0 110.046 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.415 HD12 HG12 ' A' ' 121' ' ' VAL . 9.7 mt -73.3 -43.36 61.08 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.366 -0.834 . . . . 0.0 110.203 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -66.82 -33.12 74.92 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 110.244 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.02 -29.74 39.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.364 -0.835 . . . . 0.0 110.426 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.687 HG13 ' NE2' ' A' ' 139' ' ' GLN . 80.7 t -93.72 -52.53 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.335 -0.853 . . . . 0.0 110.293 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.5 t -61.02 112.26 2.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.394 -0.816 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.84 -38.76 2.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.68 -102.16 0.01 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.1 m -142.14 -65.52 0.41 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.332 -1.099 . . . . 0.0 110.236 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -138.59 40.94 1.41 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -144.36 117.3 8.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.414 -1.051 . . . . 0.0 110.107 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 70.8 mt -116.37 147.84 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.297 -0.877 . . . . 0.0 110.171 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -91.11 137.84 32.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 0.0 110.069 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.74 HD13 ' HB3' ' A' ' 89' ' ' PHE . 2.0 pt -74.4 -18.46 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.385 -0.822 . . . . 0.0 110.45 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -61.1 -65.0 0.76 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.294 -0.879 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.687 ' NE2' HG13 ' A' ' 128' ' ' VAL . 6.3 pt20 -54.89 -42.81 72.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.347 -0.846 . . . . 0.0 110.495 -179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.761 ' CE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.16 -43.75 98.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.358 -0.839 . . . . 0.0 110.122 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.95 -32.37 72.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.383 -0.823 . . . . 0.0 110.123 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.5 -43.42 76.88 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.432 -0.792 . . . . 0.0 110.086 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.62 HD13 ' CG ' ' A' ' 124' ' ' MET . 5.2 mt -62.32 -33.98 75.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.297 -0.877 . . . . 0.0 110.096 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.646 ' CD2' HD11 ' A' ' 116' ' ' LEU . 88.4 mt -79.84 -37.93 33.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.416 -0.803 . . . . 0.0 110.105 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.6 m -86.39 -157.78 0.37 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.315 -0.866 . . . . 0.0 110.172 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.174 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.1 t . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.248 0.547 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.82 -10.42 17.39 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.317 -0.864 . . . . 0.0 110.524 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -58.09 107.52 0.49 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.911 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.569 HD22 ' HE2' ' A' ' 12' ' ' PHE . 35.1 mt -80.11 132.89 36.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.359 -0.838 . . . . 0.0 110.38 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p -88.16 178.95 6.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 109.973 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.83 -36.22 82.5 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.323 -0.861 . . . . 0.0 110.112 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -69.4 -37.97 77.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.285 -0.885 . . . . 0.0 110.016 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -70.61 -44.41 67.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.425 -0.797 . . . . 0.0 110.018 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.4 mt -66.31 -32.16 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.4 -0.812 . . . . 0.0 109.848 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.69 71.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.415 -0.803 . . . . 0.0 109.98 179.7 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -50.14 63.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.409 -0.807 . . . . 0.0 109.967 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.569 ' HE2' HD22 ' A' ' 4' ' ' LEU . 25.3 m-85 -60.7 -35.15 75.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.33 -0.856 . . . . 0.0 110.05 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -63.52 -39.25 93.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.373 -0.829 . . . . 0.0 109.968 179.799 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.22 -53.57 50.96 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.413 -0.804 . . . . 0.0 110.065 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.7 88.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.0 109.983 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.592 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.7 t80 -67.39 -42.32 83.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.379 -0.826 . . . . 0.0 109.942 179.754 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.51 71.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.419 -0.801 . . . . 0.0 110.153 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.11 -30.66 70.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.841 . . . . 0.0 110.06 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.44 ' O ' HG22 ' A' ' 27' ' ' ILE . 92.4 m-85 -109.45 21.6 16.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.389 -0.819 . . . . 0.0 110.285 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -98.03 115.1 27.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.353 -0.842 . . . . 0.0 110.141 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -20.82 9.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.378 -0.826 . . . . 0.0 110.484 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.31 -83.27 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.212 -0.93 . . . . 0.0 110.238 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -173.28 -63.13 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.12 -0.987 . . . . 0.0 110.344 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -74.82 -66.68 0.72 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.305 -0.872 . . . . 0.0 110.377 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 176.33 87.78 0.07 OUTLIER Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 p -143.88 118.64 9.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.369 -1.077 . . . . 0.0 110.185 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.592 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.3 pt -117.06 159.19 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.387 -0.821 . . . . 0.0 110.338 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 m -84.01 160.19 21.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.369 -0.832 . . . . 0.0 110.343 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -59.78 -41.18 90.54 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.35 -0.844 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.46 -27.14 46.39 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.282 -0.886 . . . . 0.0 110.373 -179.741 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.852 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.0 mt-10 -91.01 -16.24 28.27 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.32 -0.863 . . . . 0.0 110.434 179.786 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.01 -55.89 28.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.206 -0.934 . . . . 0.0 110.359 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.66 -31.53 69.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.425 -0.797 . . . . 0.0 110.099 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.7 m -72.45 -38.0 68.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.461 -0.775 . . . . 0.0 109.995 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 31' ' ' GLU . 80.8 t -62.51 -38.19 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.4 -0.812 . . . . 0.0 109.832 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.0 mtt -71.89 -34.44 69.16 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.4 -0.813 . . . . 0.0 109.869 179.724 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.04 73.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.412 -0.805 . . . . 0.0 110.151 179.874 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.73 -31.43 41.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 110.112 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD13 ' HE2' ' A' ' 72' ' ' MET . 5.9 mt -71.07 -26.39 63.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.323 -0.86 . . . . 0.0 110.257 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.06 39.2 0.53 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 mt -123.78 174.44 7.5 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.402 -1.058 . . . . 0.0 110.085 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.9 62.62 0.68 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.303 -0.873 . . . . 0.0 110.178 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.05 137.92 27.29 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 O-C-N 123.705 1.371 . . . . 0.0 110.4 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.61 169.82 1.23 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.364 -0.835 . . . . 0.0 110.073 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -28.28 66.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.325 -0.859 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.39 82.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.367 -0.833 . . . . 0.0 110.042 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.94 -42.51 94.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.324 -0.86 . . . . 0.0 109.932 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.85 -40.69 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.426 -0.797 . . . . 0.0 109.87 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 1.6 t-20 -61.73 -37.16 83.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -62.73 -50.18 72.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.085 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD23 HD22 ' A' ' 71' ' ' LEU . 10.1 mt -62.47 -43.88 97.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.3 -0.875 . . . . 0.0 109.99 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 mtt -67.54 -39.62 85.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.421 -0.799 . . . . 0.0 110.084 179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 49' ' ' ASN . 18.4 m-80 -63.69 -26.72 68.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 109.984 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.66 -28.19 30.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.248 -0.908 . . . . 0.0 109.791 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.481 HD13 HD11 ' A' ' 63' ' ' ILE . 4.4 mt -84.29 -50.98 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 110.128 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' C ' HG23 ' A' ' 57' ' ' VAL . 28.5 p-10 -63.27 144.92 56.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.295 -0.878 . . . . 0.0 110.637 -179.565 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 56' ' ' ASP . 66.0 t -146.23 -49.97 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.351 -0.843 . . . . 0.0 109.906 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -126.71 16.62 7.49 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 110.32 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.34 -29.7 11.83 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -120.76 124.22 44.59 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.35 -1.088 . . . . 0.0 110.404 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -170.63 99.9 0.24 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.396 -0.815 . . . . 0.0 110.138 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -80.91 137.68 36.14 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.362 -0.836 . . . . 0.0 110.195 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.481 HD11 HD13 ' A' ' 55' ' ' ILE . 83.3 mt -84.1 120.51 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.402 -0.811 . . . . 0.0 110.137 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -86.99 160.11 18.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.314 -0.866 . . . . 0.0 110.063 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.67 ' CE2' HD11 ' A' ' 69' ' ' LEU . 17.0 t80 -56.27 -27.19 54.39 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.287 -0.883 . . . . 0.0 110.327 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.6 p -69.1 -55.78 9.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.302 -0.874 . . . . 0.0 110.027 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.1 -30.42 71.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.378 -0.826 . . . . 0.0 110.006 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -66.45 -48.43 69.96 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.385 -0.822 . . . . 0.0 110.079 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.67 HD11 ' CE2' ' A' ' 65' ' ' PHE . 35.8 mt -59.24 -42.76 91.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.396 -0.815 . . . . 0.0 110.153 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.0 96.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.372 -0.83 . . . . 0.0 110.009 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.549 HD22 HD23 ' A' ' 51' ' ' LEU . 55.7 mt -62.1 -41.34 98.11 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.418 -0.801 . . . . 0.0 109.991 179.809 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.669 ' O ' HD12 ' A' ' 76' ' ' LEU . 96.3 mmm -63.76 -34.87 78.85 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.43 -0.794 . . . . 0.0 109.889 179.872 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -62.91 -45.28 93.23 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.45 -0.781 . . . . 0.0 109.98 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -60.66 -40.39 91.85 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.458 -0.776 . . . . 0.0 110.033 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -77.73 -40.33 41.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.413 -0.804 . . . . 0.0 110.08 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.669 HD12 ' O ' ' A' ' 72' ' ' MET . 4.7 mt -85.95 55.3 3.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.35 -0.843 . . . . 0.0 110.093 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -109.94 -161.79 0.77 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 110.288 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t 53.84 26.34 6.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.323 -0.86 . . . . 0.0 110.431 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.13 -174.74 4.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.327 -0.858 . . . . 0.0 110.119 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -163.46 111.01 1.19 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.877 . . . . 0.0 110.29 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.17 -17.43 60.91 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.396 -0.815 . . . . 0.0 110.391 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.63 -51.82 67.23 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.271 -0.893 . . . . 0.0 110.327 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -53.03 -41.26 64.57 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.353 -0.842 . . . . 0.0 110.475 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.6 -42.21 98.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.121 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.07 -46.9 88.77 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.417 -0.802 . . . . 0.0 110.066 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.74 -28.78 69.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.206 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 91' ' ' VAL . 17.4 tp10 -67.33 -46.36 73.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.37 -0.831 . . . . 0.0 110.117 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.21 83.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.381 -0.825 . . . . 0.0 110.11 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.557 ' HB3' HD13 ' A' ' 137' ' ' ILE . 14.5 m-85 -60.81 -34.17 74.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.308 -0.87 . . . . 0.0 110.144 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -68.39 -40.1 81.49 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.304 -0.872 . . . . 0.0 110.087 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 87' ' ' GLU . 65.7 t -63.74 -34.35 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.326 -0.859 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CD1' HG22 ' A' ' 108' ' ' VAL . 9.4 m-85 -73.79 -34.52 64.67 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.332 -0.855 . . . . 0.0 110.217 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.43 97.3 9.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.866 . . . . 0.0 110.157 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.83 -27.31 23.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 110.359 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -60.91 -28.18 68.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.362 -0.836 . . . . 0.0 110.283 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.52 33.51 8.52 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.22 -64.04 1.37 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.366 -1.079 . . . . 0.0 110.145 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.4 -24.31 5.0 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.91 104.47 10.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -1.137 . . . . 0.0 110.329 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.3 pt -111.98 160.45 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.37 -0.831 . . . . 0.0 110.135 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -79.49 160.16 26.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.36 -0.838 . . . . 0.0 110.28 -179.814 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.96 -32.94 48.83 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.366 -0.834 . . . . 0.0 110.462 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.01 -56.73 17.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.83 . . . . 0.0 110.173 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.801 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.4 mt-10 -61.46 -30.9 70.89 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.402 -0.811 . . . . 0.0 109.961 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.61 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -70.0 -42.47 72.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 109.965 179.868 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -62.53 -42.34 99.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.354 -0.841 . . . . 0.0 109.946 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.11 -40.25 97.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.883 . . . . 0.0 110.035 179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.5 t -62.83 -45.31 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.402 -0.811 . . . . 0.0 109.957 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -30.76 70.53 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.33 -0.857 . . . . 0.0 110.065 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.3 m -80.0 -42.47 23.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.434 -0.791 . . . . 0.0 110.177 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.6 m -62.46 -42.37 99.43 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.438 -0.789 . . . . 0.0 110.15 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.538 HD11 HG12 ' A' ' 108' ' ' VAL . 64.9 mt -59.65 -21.84 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.844 . . . . 0.0 110.311 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.07 25.43 44.71 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.05 152.36 39.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -1.117 . . . . 0.0 110.09 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.55 25.74 3.81 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.316 -0.865 . . . . 0.0 110.043 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 3.3 mm? -68.01 112.93 5.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.374 -0.829 . . . . 0.0 110.252 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.3 p -69.66 164.95 22.26 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.365 -0.834 . . . . 0.0 110.162 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.4 -28.77 68.5 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.312 -0.867 . . . . 0.0 110.136 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.26 74.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.291 -0.881 . . . . 0.0 110.074 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.23 -52.03 51.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.36 -0.837 . . . . 0.0 110.034 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.607 HG12 HD12 ' A' ' 125' ' ' LEU . 97.6 t -61.95 -27.33 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.348 -0.845 . . . . 0.0 109.855 179.709 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.25 -48.71 49.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.467 -0.77 . . . . 0.0 110.096 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.0 -29.06 64.91 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 0.0 110.077 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 128' ' ' VAL . 3.3 ttp -80.01 -28.86 39.35 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.46 -0.775 . . . . 0.0 110.081 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.607 HD12 HG12 ' A' ' 121' ' ' VAL . 11.5 mt -74.11 -36.66 64.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.455 -0.778 . . . . 0.0 110.168 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -34.25 77.72 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.36 -0.838 . . . . 0.0 110.223 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.98 -29.81 39.62 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.385 -0.822 . . . . 0.0 110.361 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 124' ' ' MET . 64.9 t -89.88 -36.39 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.329 -0.857 . . . . 0.0 110.256 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.7 p -60.94 102.23 0.19 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.279 -0.888 . . . . 0.0 110.239 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -167.45 33.43 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.376 -0.828 . . . . 0.0 110.238 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -127.54 -86.47 0.54 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 m -142.22 -61.56 0.45 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.31 -1.112 . . . . 0.0 110.223 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -157.26 -45.06 0.02 OUTLIER Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -80.62 153.84 27.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.434 -1.039 . . . . 0.0 110.205 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.435 HG23 HG12 ' A' ' 128' ' ' VAL . 80.7 mt -119.77 146.82 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.371 -0.83 . . . . 0.0 110.086 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -82.34 136.24 35.04 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.399 -0.813 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.557 HD13 ' HB3' ' A' ' 89' ' ' PHE . 16.8 pt -73.85 -21.14 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.807 . . . . 0.0 110.366 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -54.64 43.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.287 -0.883 . . . . 0.0 110.193 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -62.26 -41.76 98.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.417 -0.802 . . . . 0.0 110.148 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.61 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -66.86 -46.03 76.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.018 179.886 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.72 73.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.36 -0.838 . . . . 0.0 110.168 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.72 -27.62 50.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.356 -0.84 . . . . 0.0 110.154 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.77 -30.88 63.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.395 -0.816 . . . . 0.0 110.208 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.491 HD21 ' CE ' ' A' ' 124' ' ' MET . 87.6 mt -78.58 -27.04 45.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.29 -0.881 . . . . 0.0 110.204 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.1 t -76.96 -73.42 0.29 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.421 -0.799 . . . . 0.0 110.171 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 12.9 mttt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.239 179.965 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.16 0.505 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t 52.51 76.41 0.19 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.341 -0.85 . . . . 0.0 110.443 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -168.39 96.82 0.41 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.433 -0.792 . . . . 0.0 110.139 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.509 HD22 ' HE2' ' A' ' 12' ' ' PHE . 32.8 mt -84.19 130.26 34.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.474 -0.766 . . . . 0.0 110.359 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 p -89.13 179.35 6.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -0.77 . . . . 0.0 109.94 179.81 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.44 -37.04 79.68 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 110.35 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -65.26 -47.49 76.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.332 -0.855 . . . . 0.0 110.04 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 13.1 mt-30 -67.33 -43.32 81.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -0.805 . . . . 0.0 109.941 179.802 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.03 -31.48 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.392 -0.817 . . . . 0.0 109.939 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.62 -41.82 75.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 0.0 109.958 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -59.36 -52.28 66.33 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.332 -0.855 . . . . 0.0 109.766 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.509 ' HE2' HD22 ' A' ' 4' ' ' LEU . 22.9 m-85 -60.13 -30.13 69.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.423 -0.798 . . . . 0.0 109.415 179.374 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -60.84 -46.33 90.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.566 -0.709 . . . . 0.0 109.926 179.579 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.07 -44.25 96.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.454 -0.779 . . . . 0.0 110.153 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -70.86 -35.73 72.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.359 -0.838 . . . . 0.0 110.197 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.543 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.5 t80 -71.03 -48.47 52.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.393 -0.817 . . . . 0.0 110.098 179.871 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.7 67.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.386 -0.821 . . . . 0.0 110.178 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 15' ' ' ALA . 7.5 mt -64.17 -37.01 85.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.34 -0.85 . . . . 0.0 110.225 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -105.14 26.48 9.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.357 -0.84 . . . . 0.0 110.243 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -99.55 113.78 26.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -111.23 -22.33 11.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.424 -0.798 . . . . 0.0 110.345 -179.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -76.69 -3.71 39.39 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.322 -0.861 . . . . 0.0 110.681 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.6 t30 54.77 30.76 14.18 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.112 -0.992 . . . . 0.0 110.325 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -133.24 21.22 4.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.353 -0.842 . . . . 0.0 110.352 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.64 48.48 86.01 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -146.49 129.35 16.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -1.063 . . . . 0.0 110.316 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.543 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -121.32 155.35 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.367 -0.833 . . . . 0.0 110.175 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.42 158.72 24.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -29.35 70.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.313 -0.867 . . . . 0.0 110.15 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 t -59.79 -28.88 67.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.437 -0.789 . . . . 0.0 110.183 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 35' ' ' VAL . 37.3 mt-10 -97.47 -12.62 22.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.367 -0.833 . . . . 0.0 110.375 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 HD13 ' A' ' 55' ' ' ILE . 45.5 tp -57.03 -52.74 64.07 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.237 -0.914 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.4 -36.28 71.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.354 -0.841 . . . . 0.0 110.208 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.3 m -69.86 -37.23 76.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.403 -0.811 . . . . 0.0 109.892 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.7 t -61.58 -36.79 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.391 -0.818 . . . . 0.0 109.942 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 mtt -71.38 -38.21 71.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.016 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -66.19 -34.81 78.88 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.405 -0.81 . . . . 0.0 110.211 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.01 -33.59 39.13 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.147 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.424 HD13 ' CE ' ' A' ' 72' ' ' MET . 5.7 mt -64.45 -22.69 67.04 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.319 -0.863 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.48 31.62 1.63 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 mt -122.57 -177.74 3.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -1.093 . . . . 0.0 110.185 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.4 t -168.76 70.05 0.75 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.842 . . . . 0.0 110.17 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.0 137.67 26.98 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.765 1.402 . . . . 0.0 110.378 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -62.17 171.7 1.71 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.159 179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.25 -28.3 67.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.292 -0.88 . . . . 0.0 110.116 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.42 73.21 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 110.09 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.45 -31.08 70.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.39 -0.819 . . . . 0.0 109.993 179.83 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 44' ' ' SER . 62.9 t -74.31 -44.47 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.829 . . . . 0.0 109.898 179.871 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.67 -35.21 79.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.361 -0.837 . . . . 0.0 109.945 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.01 -47.5 74.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.391 -0.818 . . . . 0.0 110.0 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.673 ' O ' HD12 ' A' ' 55' ' ' ILE . 91.0 mt -66.82 -37.49 84.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.838 . . . . 0.0 110.025 179.773 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.4 mtt -70.75 -31.87 68.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.875 . . . . 0.0 110.043 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -67.59 -38.69 84.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.378 -0.826 . . . . 0.0 110.079 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -76.55 -29.03 56.51 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.455 -0.778 . . . . 0.0 110.071 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 51' ' ' LEU . 9.3 mt -90.34 -62.32 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.361 -0.837 . . . . 0.0 109.992 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.12 112.25 1.46 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.332 -0.855 . . . . 0.0 110.399 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 55' ' ' ILE . 98.6 t -94.25 -37.21 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.449 -0.782 . . . . 0.0 110.153 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -133.81 -65.48 0.67 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.32 -0.862 . . . . 0.0 110.384 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.6 -66.77 0.07 OUTLIER Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -121.0 120.43 35.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.375 -1.073 . . . . 0.0 110.231 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -107.09 137.31 45.4 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.358 -0.839 . . . . 0.0 110.004 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -92.49 103.4 15.82 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.386 -0.821 . . . . 0.0 110.234 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.549 HD11 HG21 ' A' ' 55' ' ' ILE . 74.0 mt -79.92 132.59 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.298 -0.876 . . . . 0.0 110.108 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -90.89 160.16 15.84 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.344 -0.848 . . . . 0.0 110.071 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.777 ' CE2' HD11 ' A' ' 69' ' ' LEU . 27.5 t80 -58.35 -33.32 69.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.212 -0.93 . . . . 0.0 110.203 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 p -65.65 -55.22 18.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.411 -0.806 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -62.62 -36.12 81.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.348 -0.845 . . . . 0.0 110.09 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.42 ' CE2' ' HG3' ' A' ' 72' ' ' MET . 90.5 t80 -63.97 -45.26 89.88 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.386 -0.821 . . . . 0.0 110.027 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.777 HD11 ' CE2' ' A' ' 65' ' ' PHE . 38.3 mt -58.49 -43.02 88.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.349 -0.844 . . . . 0.0 110.137 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.47 -49.08 75.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.3 -0.875 . . . . 0.0 110.048 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.555 HD13 HD11 ' A' ' 55' ' ' ILE . 17.4 mt -61.48 -39.51 91.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.385 -0.822 . . . . 0.0 110.081 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.642 ' O ' HD12 ' A' ' 76' ' ' LEU . 86.4 mmm -62.66 -41.43 99.06 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.4 t -59.59 -43.97 93.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.317 -0.865 . . . . 0.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -68.96 -27.75 66.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.385 -0.822 . . . . 0.0 110.041 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.531 ' NE2' HD11 ' A' ' 51' ' ' LEU . 48.5 mm-40 -81.98 -27.5 33.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.374 -0.829 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 72' ' ' MET . 6.7 mt -81.89 57.29 3.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.264 -0.898 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -146.29 -178.12 5.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.335 -0.853 . . . . 0.0 110.209 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 90.9 p -91.93 -32.29 15.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.408 -0.807 . . . . 0.0 110.202 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -139.25 168.58 19.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.411 -0.806 . . . . 0.0 110.142 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.04 135.77 36.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.352 -0.842 . . . . 0.0 110.176 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.452 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -63.53 -18.45 63.85 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.341 -0.849 . . . . 0.0 110.465 -179.881 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -57.76 -58.29 9.01 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.303 -0.873 . . . . 0.0 110.318 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 86' ' ' LEU . 12.9 mp0 -60.85 -37.17 81.19 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.327 -0.858 . . . . 0.0 110.099 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.78 -33.4 75.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.375 -0.828 . . . . 0.0 110.056 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 81' ' ' SER . 1.2 mt -67.64 -43.26 80.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.381 -0.824 . . . . 0.0 110.126 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 83' ' ' GLN . 8.9 mt -62.9 -38.03 89.32 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.356 -0.84 . . . . 0.0 110.087 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.643 ' O ' HG23 ' A' ' 91' ' ' VAL . 8.7 mm-40 -65.22 -45.74 83.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.42 -0.8 . . . . 0.0 110.157 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.42 -46.23 84.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.394 -0.817 . . . . 0.0 110.113 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.684 ' HB3' HD13 ' A' ' 137' ' ' ILE . 5.4 m-85 -60.95 -31.83 71.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.376 -0.827 . . . . 0.0 110.057 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -71.48 -39.13 71.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 110.066 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 87' ' ' GLU . 60.5 t -61.92 -40.25 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.792 . . . . 0.0 109.957 179.901 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -70.14 -27.23 64.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.373 -0.83 . . . . 0.0 110.241 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -72.5 -156.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.33 -0.856 . . . . 0.0 110.23 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -110.84 -73.51 0.68 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 110.227 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -113.15 -50.65 2.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.86 . . . . 0.0 110.215 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.88 42.41 0.02 OUTLIER Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 32.1 p-10 -94.42 -23.99 17.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.364 -1.08 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.61 51.47 6.5 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 99' ' ' LEU . 16.5 mt -146.52 93.73 2.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.384 -1.068 . . . . 0.0 110.195 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.666 HD11 HD12 ' A' ' 105' ' ' LEU . 36.0 pt -114.32 160.44 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.383 -0.823 . . . . 0.0 110.229 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.0 m -79.7 160.24 26.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.391 -0.818 . . . . 0.0 110.239 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.36 63.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.325 -0.86 . . . . 0.0 110.487 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.68 -58.5 7.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.315 -0.866 . . . . 0.0 110.089 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.5 mm-40 -59.47 -28.95 67.47 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.398 -0.814 . . . . 0.0 110.05 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.666 HD12 HD11 ' A' ' 100' ' ' ILE . 2.3 tp -68.7 -43.21 76.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.435 -0.791 . . . . 0.0 110.138 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -65.47 -39.68 92.28 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.367 -0.833 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -64.35 -38.97 92.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 110.241 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 104' ' ' GLU . 92.3 t -62.55 -44.14 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.381 -0.825 . . . . 0.0 110.101 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.488 HD22 HG22 ' A' ' 121' ' ' VAL . 1.1 mp -61.56 -36.24 80.07 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.422 -0.798 . . . . 0.0 110.169 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.4 m -79.97 -37.46 34.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.351 -0.843 . . . . 0.0 110.186 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -63.18 -42.61 99.4 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.383 -0.823 . . . . 0.0 110.176 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 70.2 mt -61.91 -29.44 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.444 -0.785 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.16 28.3 20.8 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.22 147.0 40.71 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.428 -1.043 . . . . 0.0 110.091 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -82.07 58.47 3.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.357 -0.839 . . . . 0.0 110.237 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 116' ' ' LEU . 65.5 mt -123.31 104.76 9.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.343 -0.848 . . . . 0.0 110.191 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.8 p -67.47 -176.56 0.61 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.323 -0.861 . . . . 0.0 110.224 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -67.65 -27.57 66.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.382 -0.824 . . . . 0.0 110.212 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.12 83.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.323 -0.861 . . . . 0.0 110.131 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.67 -47.75 82.31 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 110.142 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.609 HG12 HD12 ' A' ' 125' ' ' LEU . 59.4 t -61.02 -32.36 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.303 -0.873 . . . . 0.0 109.983 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.18 -47.38 80.06 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.379 -0.826 . . . . 0.0 110.015 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -31.65 72.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.067 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.504 ' SD ' HD13 ' A' ' 143' ' ' LEU . 14.9 ttp -80.09 -29.55 39.09 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.425 -0.797 . . . . 0.0 110.123 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.609 HD12 HG12 ' A' ' 121' ' ' VAL . 1.1 mt -67.42 -40.15 85.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.848 . . . . 0.0 110.136 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -68.08 -30.78 70.05 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.383 -0.823 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -26.48 39.44 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.329 -0.857 . . . . 0.0 110.389 -179.843 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.681 HG12 HG23 ' A' ' 135' ' ' ILE . 65.5 t -96.9 -37.56 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 110.209 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.8 p -60.91 119.04 7.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.324 -0.86 . . . . 0.0 110.27 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -167.28 33.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.36 -0.837 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.49 -77.05 0.14 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -158.35 -63.62 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -1.096 . . . . 0.0 110.134 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.07 29.98 0.59 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -143.59 156.07 44.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -1.068 . . . . 0.0 110.225 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.681 HG23 HG12 ' A' ' 128' ' ' VAL . 82.5 mt -133.64 148.89 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 110.164 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -92.6 140.46 29.52 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.398 -0.813 . . . . 0.0 110.208 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.684 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.0 pt -72.21 -16.32 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.375 -0.828 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -56.68 19.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.225 -0.922 . . . . 0.0 110.382 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -63.46 -44.89 93.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.346 -0.846 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.632 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.11 -46.9 82.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.363 -0.836 . . . . 0.0 110.23 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.24 -28.53 69.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.281 -0.887 . . . . 0.0 110.274 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.25 -32.29 58.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.385 -0.822 . . . . 0.0 110.249 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.504 HD13 ' SD ' ' A' ' 124' ' ' MET . 1.3 mt -74.71 -38.3 62.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 0.0 110.243 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.5 mt -69.45 -27.25 65.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.315 -0.865 . . . . 0.0 110.21 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 t -87.88 -33.64 18.46 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.327 -0.858 . . . . 0.0 110.155 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.272 -179.99 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.8 p . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.231 0.538 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' ASN . 2.5 t -64.44 134.68 55.01 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.319 -0.863 . . . . 0.0 110.179 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 2' ' ' SER . 34.0 m120 57.48 113.9 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.574 -0.704 . . . . 0.0 110.549 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.585 HD22 ' HE2' ' A' ' 12' ' ' PHE . 45.6 mt -53.59 120.9 6.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.251 -0.906 . . . . 0.0 110.601 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.8 p -87.71 -173.63 4.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.36 -0.837 . . . . 0.0 109.945 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 8.6 mt-10 -63.42 -33.55 75.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.235 -0.916 . . . . 0.0 110.142 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -66.9 -47.67 71.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.334 -0.854 . . . . 0.0 109.967 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -67.86 -43.96 78.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.808 . . . . 0.0 109.89 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -67.75 -30.19 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.348 -0.845 . . . . 0.0 109.803 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -68.79 -34.96 76.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.358 -0.838 . . . . 0.0 109.788 179.583 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -67.74 -49.46 62.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.47 -0.769 . . . . 0.0 109.895 179.675 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' HE2' HD22 ' A' ' 4' ' ' LEU . 25.6 m-85 -60.5 -39.68 88.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.303 -0.873 . . . . 0.0 109.898 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 15.3 ttmt -58.91 -41.44 87.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.404 -0.81 . . . . 0.0 110.245 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.16 -57.05 14.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.459 -0.776 . . . . 0.0 110.099 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.24 -23.62 67.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.776 ' CE1' HG23 ' A' ' 27' ' ' ILE . 8.9 t80 -80.17 -38.86 30.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.147 -0.97 . . . . 0.0 110.088 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -24.8 63.47 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.384 -0.822 . . . . 0.0 110.286 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -72.31 -26.22 61.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -117.16 24.04 11.44 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.295 -0.878 . . . . 0.0 110.392 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.52 ' HA ' HG22 ' A' ' 27' ' ' ILE . 52.8 p-10 -87.9 -173.25 4.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.225 -0.922 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -109.14 6.83 25.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.825 . . . . 0.0 110.489 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 52.8 43.46 31.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.082 -1.011 . . . . 0.0 110.416 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -146.43 -66.1 0.29 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.376 -0.827 . . . . 0.0 110.198 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.84 -36.3 9.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.323 -0.86 . . . . 0.0 110.204 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.46 29.49 3.4 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.3 p -126.4 156.13 41.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.391 -1.064 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.776 HG23 ' CE1' ' A' ' 16' ' ' PHE . 42.4 pt -118.88 160.12 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.34 -0.85 . . . . 0.0 110.273 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.58 158.04 23.24 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.332 -0.855 . . . . 0.0 110.075 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -28.91 70.01 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.4 -0.813 . . . . 0.0 110.218 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -62.31 -36.39 82.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.348 -0.845 . . . . 0.0 110.236 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.781 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.9 mt-10 -85.21 -10.98 55.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.361 -0.837 . . . . 0.0 110.459 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.2 tp -57.85 -49.53 76.36 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.19 -0.944 . . . . 0.0 110.477 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.13 88.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.268 -0.895 . . . . 0.0 110.331 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.3 m -68.0 -41.25 82.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.306 -0.871 . . . . 0.0 110.124 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.2 t -61.83 -32.63 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.419 -0.8 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.8 mtt -74.17 -33.81 63.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.86 . . . . 0.0 109.967 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -66.78 -34.52 78.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.429 -0.794 . . . . 0.0 110.174 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -29.28 38.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.376 -0.828 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 39' ' ' LEU . 13.3 mt -73.37 -23.88 60.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.323 -0.861 . . . . 0.0 110.244 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.15 35.07 0.9 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.1 mt -124.28 164.56 19.32 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.304 -1.115 . . . . 0.0 110.062 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 t -160.13 66.98 2.69 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 0.0 110.2 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.75 137.3 24.55 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.673 1.354 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -62.07 175.12 0.74 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.394 -0.817 . . . . 0.0 110.084 179.863 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.82 -28.3 68.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 110.19 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.51 -42.0 71.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.309 -0.869 . . . . 0.0 110.053 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.13 -40.94 95.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.408 -0.808 . . . . 0.0 110.112 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 44' ' ' SER . 56.6 t -63.1 -40.71 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.432 -0.793 . . . . 0.0 109.942 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -41.73 97.59 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.367 -0.833 . . . . 0.0 110.068 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.34 -48.13 82.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 110.093 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.402 HD23 HD22 ' A' ' 71' ' ' LEU . 8.2 mt -62.4 -44.27 96.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.437 -0.789 . . . . 0.0 110.112 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 mtt -66.84 -28.81 68.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.342 -0.849 . . . . 0.0 109.921 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -67.15 -38.87 86.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.411 -0.806 . . . . 0.0 110.006 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -74.15 -30.91 62.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.347 -0.846 . . . . 0.0 109.996 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.56 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 20.6 mt -85.53 -60.74 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.428 -0.795 . . . . 0.0 109.92 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -64.24 103.82 0.67 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.391 -0.818 . . . . 0.0 110.188 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 55' ' ' ILE . 92.5 t -112.51 -63.71 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.418 -0.801 . . . . 0.0 110.156 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -95.07 39.3 1.11 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.402 -0.811 . . . . 0.0 110.298 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.17 -66.68 0.64 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -115.89 158.06 23.54 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.314 -1.109 . . . . 0.0 110.289 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 55' ' ' ILE . 9.3 t-80 -163.69 121.88 1.9 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.432 -0.792 . . . . 0.0 110.027 179.889 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -87.27 121.59 29.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.37 -0.831 . . . . 0.0 110.172 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.43 HD11 HD13 ' A' ' 55' ' ' ILE . 81.0 mt -80.09 121.2 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.16 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.06 160.27 18.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.37 -0.831 . . . . 0.0 109.999 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.622 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.9 t80 -56.58 -27.26 57.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.303 -0.873 . . . . 0.0 110.383 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.8 t -69.6 -54.97 11.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.345 -0.847 . . . . 0.0 110.009 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.98 -29.41 70.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.823 . . . . 0.0 110.055 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.46 -48.64 66.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.317 -0.865 . . . . 0.0 110.058 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.622 HD11 ' CE2' ' A' ' 65' ' ' PHE . 38.9 mt -58.77 -42.54 89.17 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.299 -0.875 . . . . 0.0 109.992 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.14 -47.08 75.24 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.467 -0.77 . . . . 0.0 109.855 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.402 HD22 HD23 ' A' ' 51' ' ' LEU . 24.6 mt -62.36 -35.21 78.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.398 -0.814 . . . . 0.0 109.909 179.703 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.62 ' O ' HD12 ' A' ' 76' ' ' LEU . 86.1 mmm -68.81 -37.4 79.21 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.396 -0.815 . . . . 0.0 109.873 179.675 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.6 p -61.59 -42.63 99.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.452 -0.78 . . . . 0.0 109.99 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -66.2 -39.18 89.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.445 -0.784 . . . . 0.0 109.742 179.783 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.409 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 53.5 mm-40 -68.2 -42.76 79.43 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.517 -0.74 . . . . 0.0 109.754 179.623 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 72' ' ' MET . 7.6 mt -74.85 -42.79 57.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 109.697 179.711 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 tptt 51.69 90.56 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.549 -0.719 . . . . 0.0 110.683 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.1 m -116.21 -37.68 3.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.534 -0.729 . . . . 0.0 109.947 179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -124.8 -160.99 0.98 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.485 -0.759 . . . . 0.0 110.019 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -156.3 148.13 22.95 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.307 -0.871 . . . . 0.0 110.233 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.35 -26.7 42.04 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.384 -0.822 . . . . 0.0 110.228 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.65 -56.57 20.17 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.362 -0.836 . . . . 0.0 110.27 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -58.63 -36.71 74.49 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.37 -0.831 . . . . 0.0 110.217 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.87 -29.84 70.98 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.292 -0.88 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.83 -48.12 33.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.381 -0.825 . . . . 0.0 110.028 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.2 -27.02 69.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.831 . . . . 0.0 110.076 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 91' ' ' VAL . 2.9 tp10 -75.31 -48.49 22.92 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.427 -0.796 . . . . 0.0 110.235 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.16 78.76 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.346 -0.846 . . . . 0.0 110.193 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HB3' HD13 ' A' ' 137' ' ' ILE . 20.3 m-85 -62.28 -35.13 78.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.269 -0.895 . . . . 0.0 110.16 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -63.01 -33.97 76.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.343 -0.848 . . . . 0.0 110.268 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 87' ' ' GLU . 61.4 t -80.38 -27.66 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.353 -0.842 . . . . 0.0 110.405 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.454 ' CE2' HG22 ' A' ' 108' ' ' VAL . 6.8 m-85 -80.03 -10.39 59.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.267 -0.896 . . . . 0.0 111.086 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -60.02 -164.91 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.067 -1.02 . . . . 0.0 110.27 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -129.41 -59.49 1.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.316 -0.865 . . . . 0.0 110.241 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.91 -74.24 0.61 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.358 -0.839 . . . . 0.0 110.203 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.07 -49.41 0.02 OUTLIER Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.96 129.97 43.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -1.079 . . . . 0.0 110.211 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.27 88.9 0.06 OUTLIER Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.1 mt -136.74 103.43 5.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.41 -1.053 . . . . 0.0 110.201 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.633 HD11 HD12 ' A' ' 105' ' ' LEU . 36.8 pt -119.76 158.75 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.381 -0.824 . . . . 0.0 110.24 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.8 t -80.02 160.19 25.94 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.413 -0.805 . . . . 0.0 110.156 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.32 -30.26 50.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.365 -0.834 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.84 -54.08 26.03 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.835 . . . . 0.0 110.047 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.701 ' O ' HG23 ' A' ' 108' ' ' VAL . 26.2 mt-10 -62.02 -32.37 72.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.347 -0.846 . . . . 0.0 109.925 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.633 HD12 HD11 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -69.31 -42.82 74.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.382 -0.824 . . . . 0.0 109.988 179.86 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -62.44 -41.18 98.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.393 -0.817 . . . . 0.0 110.097 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -66.22 -32.99 74.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.406 -0.809 . . . . 0.0 110.097 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.6 t -79.97 -40.85 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.466 -0.771 . . . . 0.0 110.077 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -65.83 -31.29 72.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.258 -179.824 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.3 m -80.17 -37.79 32.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 110.352 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.8 t -61.07 -35.34 76.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.322 -0.861 . . . . 0.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 109' ' ' LEU . 62.6 mt -65.64 -28.25 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.304 -0.873 . . . . 0.0 110.039 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.55 37.07 58.41 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.66 176.08 0.71 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.436 -1.038 . . . . 0.0 110.167 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.25 52.28 2.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.367 -0.833 . . . . 0.0 110.096 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 116' ' ' LEU . 72.3 mt -135.54 131.5 36.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.227 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.8 p -84.96 -167.86 1.99 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.358 -0.839 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -74.36 -34.9 63.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -0.796 . . . . 0.0 110.257 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.35 86.94 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.349 -0.844 . . . . 0.0 110.205 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.56 -50.68 62.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -60.12 -27.23 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.347 -0.846 . . . . 0.0 110.165 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.92 -48.4 63.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.2 -27.0 68.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.458 -0.776 . . . . 0.0 110.17 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.59 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.1 ttp -78.65 -28.1 45.38 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.83 . . . . 0.0 110.268 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.73 -38.2 62.35 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.331 -0.856 . . . . 0.0 110.172 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -65.39 -34.3 77.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.385 -0.822 . . . . 0.0 110.252 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.1 -39.41 29.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.353 -0.842 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 124' ' ' MET . 60.4 t -80.58 -51.38 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.379 -0.825 . . . . 0.0 110.148 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.3 t -70.25 115.23 9.2 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.308 -0.87 . . . . 0.0 110.188 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -108.64 28.5 8.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.405 -0.809 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.19 56.97 3.3 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 t -126.42 -44.68 1.69 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.337 -1.096 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 127.88 -63.98 0.6 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.56 155.75 16.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.292 -1.122 . . . . 0.0 110.177 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 87.7 mt -126.06 146.05 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 0.0 110.162 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -80.12 126.72 31.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.433 -0.792 . . . . 0.0 110.162 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.57 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.5 pt -68.5 -18.01 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.43 -0.794 . . . . 0.0 110.499 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -69.21 -43.42 74.14 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.241 -0.912 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -68.7 -43.55 75.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.41 -0.806 . . . . 0.0 110.243 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.597 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.31 -42.56 96.29 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.279 -0.888 . . . . 0.0 110.134 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.56 80.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 110.223 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.45 69.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.44 -0.788 . . . . 0.0 110.156 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.59 HD13 ' CG ' ' A' ' 124' ' ' MET . 8.9 mt -70.23 -30.59 67.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.383 -0.823 . . . . 0.0 110.113 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.92 -18.32 50.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.446 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.3 m -59.42 -31.21 69.06 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.244 -0.91 . . . . 0.0 110.317 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.207 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.237 0.541 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 t -163.59 167.57 21.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.317 -0.864 . . . . 0.0 110.2 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -156.54 155.5 32.04 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.359 -0.838 . . . . 0.0 110.22 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.658 ' O ' HD11 ' A' ' 9' ' ' ILE . 15.8 mt -60.71 128.96 39.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.339 -0.851 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 p -71.13 166.81 20.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.081 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.19 -34.33 72.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.392 -0.817 . . . . 0.0 110.285 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.32 -50.02 67.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.404 -0.81 . . . . 0.0 110.102 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 20.4 mt-30 -64.25 -41.46 96.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -0.809 . . . . 0.0 110.131 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.658 HD11 ' O ' ' A' ' 4' ' ' LEU . 66.0 mt -65.46 -32.39 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.274 -0.891 . . . . 0.0 109.953 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.1 -35.63 76.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.347 -0.846 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.18 -49.72 63.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.277 -0.889 . . . . 0.0 110.136 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 76' ' ' LEU . 23.3 m-85 -61.72 -34.39 75.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.096 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -63.64 -41.94 98.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.311 -0.868 . . . . 0.0 110.066 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.97 -48.31 80.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.408 -0.808 . . . . 0.0 110.142 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.48 -35.71 80.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.361 -0.837 . . . . 0.0 110.197 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.77 ' CE1' HG23 ' A' ' 27' ' ' ILE . 4.7 t80 -67.44 -50.22 60.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.385 -0.822 . . . . 0.0 110.223 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.97 68.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.377 -0.827 . . . . 0.0 110.241 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 15' ' ' ALA . 3.5 mt -62.0 -36.24 80.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.399 -0.813 . . . . 0.0 110.168 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -106.81 27.09 9.26 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.376 -0.828 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -132.0 82.54 2.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.407 -0.808 . . . . 0.0 110.133 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' N ' ' CD ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -96.55 32.25 2.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.377 -0.827 . . . . 0.0 110.231 -179.88 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.34 7.96 31.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.342 -0.849 . . . . 0.0 110.596 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 51.98 33.26 11.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.191 -0.943 . . . . 0.0 110.553 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -125.86 -58.93 1.37 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.391 -0.818 . . . . 0.0 110.221 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.62 41.95 0.36 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.1 p -146.7 136.99 23.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -1.115 . . . . 0.0 110.164 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.77 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.5 pt -120.88 159.63 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.81 160.03 21.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -63.4 -28.74 70.19 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.341 -0.849 . . . . 0.0 110.229 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -61.72 -28.66 69.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.301 -0.875 . . . . 0.0 110.243 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 12.1 mt-10 -95.89 -12.14 25.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.385 -0.822 . . . . 0.0 110.531 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 58.9 tp -56.09 -55.49 32.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.245 -0.909 . . . . 0.0 110.347 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.16 70.68 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.289 -0.882 . . . . 0.0 110.189 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.5 m -70.59 -38.78 74.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.424 -0.797 . . . . 0.0 110.061 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 31' ' ' GLU . 82.3 t -62.09 -36.16 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.41 -0.806 . . . . 0.0 109.885 179.864 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.3 mtt -72.44 -34.84 68.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.443 -0.786 . . . . 0.0 109.933 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -66.42 -33.55 75.97 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.429 -0.795 . . . . 0.0 110.15 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 m -79.15 -31.33 43.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.818 . . . . 0.0 110.19 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mt -68.33 -21.13 64.76 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.331 -0.855 . . . . 0.0 110.362 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.89 31.91 1.66 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.421 HD21 HD21 ' A' ' 76' ' ' LEU . 42.7 mt -122.32 176.77 5.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.37 -1.077 . . . . 0.0 110.19 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -168.77 69.9 0.74 Allowed Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.113 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.72 138.48 29.15 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.744 1.391 . . . . 0.0 110.365 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.39 167.87 0.89 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.288 -0.883 . . . . 0.0 110.139 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.23 -29.69 67.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.406 -0.809 . . . . 0.0 110.098 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.52 -41.73 72.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -0.831 . . . . 0.0 110.01 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.02 -40.68 96.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.443 -0.786 . . . . 0.0 109.962 179.787 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.2 -49.19 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.398 -0.814 . . . . 0.0 109.936 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 3.4 t-20 -52.24 -46.1 65.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.327 -0.858 . . . . 0.0 110.428 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -56.7 -47.07 80.72 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.237 -0.915 . . . . 0.0 109.941 179.698 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD22 HD22 ' A' ' 71' ' ' LEU . 28.6 mt -65.52 -51.81 57.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.464 -0.772 . . . . 0.0 109.845 179.658 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.493 ' HE3' ' HB3' ' A' ' 32' ' ' LEU . 1.3 mpt? -63.33 -25.96 68.55 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.359 -0.838 . . . . 0.0 110.159 179.849 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 49' ' ' ASN . 1.7 m-80 -68.98 -39.25 79.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.352 -0.842 . . . . 0.0 109.839 179.685 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -75.25 -31.85 60.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.475 -0.766 . . . . 0.0 109.728 179.64 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 57' ' ' VAL . 15.9 mt -84.23 -62.63 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.493 -0.754 . . . . 0.0 109.857 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.27 120.26 9.48 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.431 -0.793 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 55' ' ' ILE . 66.3 t -120.23 -62.59 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.369 -0.832 . . . . 0.0 110.186 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -98.6 36.32 1.66 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.358 -0.839 . . . . 0.0 110.134 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.21 -56.96 1.06 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -115.09 158.48 22.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.382 -1.069 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -168.23 122.96 0.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.347 -0.845 . . . . 0.0 110.131 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -87.04 116.05 24.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 0.0 110.068 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.91 136.26 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.379 -0.826 . . . . 0.0 110.295 -179.823 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -97.94 160.22 14.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.441 -0.787 . . . . 0.0 109.917 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.825 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.9 t80 -57.14 -27.12 61.57 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.85 . . . . 0.0 110.412 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.8 m -68.8 -61.22 1.9 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.265 -0.897 . . . . 0.0 110.113 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.65 -28.79 70.16 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -0.796 . . . . 0.0 110.07 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -67.44 -47.3 70.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 110.076 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.825 HD11 ' CE2' ' A' ' 65' ' ' PHE . 34.6 mt -60.95 -38.34 85.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.342 -0.848 . . . . 0.0 110.081 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.72 96.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.345 -0.847 . . . . 0.0 110.18 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.469 HD22 HD22 ' A' ' 51' ' ' LEU . 19.1 mt -63.76 -46.72 84.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 0.0 110.084 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.4 mtp -64.45 -38.82 92.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.386 -0.821 . . . . 0.0 110.023 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.491 ' HB2' HD11 ' A' ' 4' ' ' LEU . 46.7 t -60.13 -34.43 73.51 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.351 -0.843 . . . . 0.0 110.201 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -34.29 59.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.308 -0.87 . . . . 0.0 109.949 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.11 -30.6 25.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.398 -0.813 . . . . 0.0 110.516 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 4.3 mt -97.95 30.34 3.08 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.229 -0.919 . . . . 0.0 110.355 -179.841 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 135.25 48.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.37 -0.832 . . . . 0.0 110.173 179.832 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -58.52 100.98 0.07 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.289 -0.882 . . . . 0.0 110.116 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 t30 61.48 154.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.418 -0.801 . . . . 0.0 110.113 -179.812 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -159.7 26.95 0.19 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.329 -0.857 . . . . 0.0 110.302 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 t -59.91 -36.59 77.33 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.08 -55.68 8.85 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.459 -0.776 . . . . 0.0 110.209 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -55.46 -41.35 72.78 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.35 -0.844 . . . . 0.0 110.364 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.54 -34.3 77.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.015 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.606 HD22 ' HE2' ' A' ' 89' ' ' PHE . 10.1 mt -67.41 -48.93 65.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.389 -0.819 . . . . 0.0 109.919 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.09 -40.04 94.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.436 -0.79 . . . . 0.0 109.872 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -43.86 53.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.463 -0.773 . . . . 0.0 110.005 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.543 ' HB1' HG13 ' A' ' 108' ' ' VAL . . . -61.29 -46.4 90.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.472 -0.767 . . . . 0.0 110.295 179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.606 ' HE2' HD22 ' A' ' 85' ' ' LEU . 9.8 m-85 -63.02 -38.8 92.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.381 -0.825 . . . . 0.0 110.183 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -38.8 83.8 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.295 -0.878 . . . . 0.0 110.307 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.7 t -72.13 -37.93 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.293 -0.879 . . . . 0.0 110.02 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.2 m-85 -73.99 -30.78 62.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.165 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 95' ' ' ASN . 6.6 t70 -68.15 -23.27 64.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.342 -0.849 . . . . 0.0 110.231 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.54 -72.62 0.06 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.54 -0.725 . . . . 0.0 110.436 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -57.74 -53.91 52.8 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.234 -0.916 . . . . 0.0 110.308 -179.912 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.57 33.71 2.41 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.2 -39.66 9.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.401 -1.058 . . . . 0.0 110.187 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.17 33.12 2.41 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 99' ' ' LEU . 82.3 mt -140.48 122.13 15.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.354 -1.086 . . . . 0.0 110.217 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 pt -143.29 160.7 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.443 -0.785 . . . . 0.0 110.172 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 m -79.2 160.12 27.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.377 -0.827 . . . . 0.0 110.288 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.23 -30.21 49.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.396 -0.815 . . . . 0.0 110.506 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.73 -57.46 11.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.267 -0.896 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.801 ' O ' HG23 ' A' ' 108' ' ' VAL . 44.8 mt-10 -61.39 -32.37 72.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.416 -0.803 . . . . 0.0 109.944 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -41.43 79.61 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.482 -0.761 . . . . 0.0 110.042 179.882 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -41.17 97.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.329 -0.857 . . . . 0.0 110.082 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -64.73 -33.87 76.99 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.404 -0.81 . . . . 0.0 110.072 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.4 t -70.61 -43.99 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 0.0 110.056 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.51 -30.65 71.43 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.407 -0.808 . . . . 0.0 110.19 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.3 m -78.84 -32.18 46.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.435 -0.791 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.38 -37.77 71.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.306 -0.871 . . . . 0.0 110.184 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.83 -26.68 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.415 -0.803 . . . . 0.0 110.03 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.48 28.97 50.86 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.78 157.79 23.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.386 -1.067 . . . . 0.0 110.177 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.69 58.75 5.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.232 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.664 HD11 HD22 ' A' ' 144' ' ' LEU . 66.4 mt -133.45 139.38 46.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.375 -0.828 . . . . 0.0 110.178 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.5 p -101.85 -178.24 3.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.355 -0.84 . . . . 0.0 110.223 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.31 -31.77 72.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.353 -0.842 . . . . 0.0 110.157 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.24 82.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.353 -0.842 . . . . 0.0 110.198 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.63 -47.69 82.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.315 -0.866 . . . . 0.0 110.087 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.57 -29.14 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.36 -0.838 . . . . 0.0 109.991 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.5 -47.77 71.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.376 -0.828 . . . . 0.0 109.995 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.27 -28.76 69.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.403 -0.81 . . . . 0.0 110.013 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.495 ' O ' HG23 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -79.47 -36.71 38.32 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.324 -0.86 . . . . 0.0 110.097 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 125' ' ' LEU . 8.4 mt -62.65 -39.5 94.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.368 -0.833 . . . . 0.0 110.227 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -61.8 -38.6 88.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.279 -0.888 . . . . 0.0 110.305 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -80.19 -36.68 34.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.334 -0.853 . . . . 0.0 110.522 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.726 HG12 HG23 ' A' ' 135' ' ' ILE . 59.7 t -80.88 -25.98 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.358 -0.839 . . . . 0.0 110.406 -179.814 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.1 t -59.72 100.38 0.08 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.284 -0.885 . . . . 0.0 110.271 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -113.57 -28.94 7.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.84 -98.39 2.37 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.6 m -158.35 -59.7 0.08 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.447 -1.031 . . . . 0.0 110.177 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -126.04 29.91 4.49 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -145.4 138.09 26.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -1.043 . . . . 0.0 110.172 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.726 HG23 HG12 ' A' ' 128' ' ' VAL . 87.4 mt -134.71 145.89 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.386 -0.821 . . . . 0.0 110.107 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -80.72 129.96 34.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -0.792 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.543 HG21 ' HB3' ' A' ' 89' ' ' PHE . 11.7 pt -66.66 -20.53 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.326 -0.859 . . . . 0.0 110.492 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -70.7 -36.22 73.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.223 -0.923 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.424 ' O ' HD12 ' A' ' 143' ' ' LEU . 10.8 mm-40 -68.33 -49.73 58.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.332 -0.855 . . . . 0.0 110.224 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.402 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.4 OUTLIER -65.22 -36.2 83.42 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.352 -0.842 . . . . 0.0 110.117 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.46 71.42 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.357 -0.84 . . . . 0.0 110.242 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.0 -34.7 38.26 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.829 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 139' ' ' GLN . 2.5 mt -64.61 -42.39 95.57 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.381 -0.824 . . . . 0.0 110.278 -179.88 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.664 HD22 HD11 ' A' ' 116' ' ' LEU . 89.0 mt -70.2 -48.77 55.66 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.285 -0.884 . . . . 0.0 110.145 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t -72.98 130.4 40.27 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.44 -0.787 . . . . 0.0 110.126 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.214 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.254 0.549 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -111.52 147.71 34.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.314 -0.866 . . . . 0.0 110.202 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -62.16 -170.88 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.419 -0.801 . . . . 0.0 110.248 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.498 HD22 ' HE2' ' A' ' 12' ' ' PHE . 30.7 mt -62.15 119.44 8.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.29 -0.881 . . . . 0.0 110.191 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.9 p -77.45 -179.93 6.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.368 -0.833 . . . . 0.0 110.079 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.98 -29.1 70.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.415 -0.803 . . . . 0.0 110.12 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -70.01 -46.54 64.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.396 -0.815 . . . . 0.0 110.057 179.829 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -66.78 -42.41 86.09 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.379 -0.825 . . . . 0.0 110.01 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.7 mt -67.96 -34.65 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.319 -0.863 . . . . 0.0 109.841 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.04 -31.7 72.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.375 -0.828 . . . . 0.0 109.84 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.01 -48.91 56.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 109.989 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.498 ' HE2' HD22 ' A' ' 4' ' ' LEU . 24.4 m-85 -62.5 -36.84 83.8 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.373 -0.829 . . . . 0.0 110.016 179.901 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -62.99 -40.28 97.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.444 -0.785 . . . . 0.0 110.195 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.39 -52.71 62.52 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.335 -0.853 . . . . 0.0 110.18 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.98 86.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.353 -0.842 . . . . 0.0 110.204 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.5 t80 -67.25 -46.45 73.66 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.299 -0.876 . . . . 0.0 110.098 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -27.84 69.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.374 -0.828 . . . . 0.0 110.145 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.76 -34.04 76.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.29 -0.881 . . . . 0.0 110.144 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -108.77 27.85 9.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.391 -0.818 . . . . 0.0 110.21 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -100.81 104.37 15.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.434 -0.791 . . . . 0.0 110.03 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -19.3 10.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.335 -0.853 . . . . 0.0 110.506 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.44 -82.57 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.144 -0.972 . . . . 0.0 110.324 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -173.95 -75.89 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.101 -0.999 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.71 -75.66 0.07 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.348 -0.845 . . . . 0.0 110.271 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -178.63 80.85 0.06 OUTLIER Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 p -148.0 139.92 24.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.38 -1.071 . . . . 0.0 110.158 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.601 HG23 ' CE1' ' A' ' 16' ' ' PHE . 46.5 pt -122.33 159.28 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.395 -0.815 . . . . 0.0 110.234 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -84.25 160.08 20.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 0.0 110.263 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -38.77 88.09 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.405 -0.81 . . . . 0.0 110.265 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -57.19 -28.84 63.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.342 -0.849 . . . . 0.0 110.337 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.1 mt-10 -91.47 -17.12 26.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.503 HD22 HD13 ' A' ' 55' ' ' ILE . 48.7 tp -56.45 -48.56 76.8 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.284 -0.885 . . . . 0.0 110.422 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.31 -38.63 84.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.896 . . . . 0.0 110.155 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.7 m -68.26 -37.17 80.45 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.019 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 31' ' ' GLU . 81.1 t -61.49 -37.96 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.407 -0.808 . . . . 0.0 109.977 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.8 mtt -69.9 -38.34 76.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.368 -0.832 . . . . 0.0 110.012 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -64.47 -35.19 80.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.373 -0.83 . . . . 0.0 110.181 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -78.95 -34.19 44.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.375 -0.828 . . . . 0.0 110.204 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.35 -22.16 66.86 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.393 -0.817 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.42 30.66 1.83 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.9 mt -121.68 179.53 4.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.287 -1.125 . . . . 0.0 110.176 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.73 68.81 0.87 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.359 -0.838 . . . . 0.0 110.214 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.6 137.84 25.77 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.655 1.345 . . . . 0.0 110.344 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 169.44 2.3 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.399 -0.813 . . . . 0.0 110.114 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.78 -27.91 65.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.334 -0.854 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.81 -41.75 71.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 110.122 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.26 -36.05 81.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.413 -0.804 . . . . 0.0 110.144 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.34 -41.41 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.324 -0.86 . . . . 0.0 110.013 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -40.45 93.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.345 -0.847 . . . . 0.0 110.057 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.07 -50.42 72.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.367 -0.833 . . . . 0.0 110.018 179.816 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 55' ' ' ILE . 7.8 mp -62.82 -42.78 99.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.322 -0.861 . . . . 0.0 109.931 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 mtt -68.21 -29.17 67.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.859 . . . . 0.0 109.832 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -66.05 -38.93 89.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.439 -0.788 . . . . 0.0 109.891 179.723 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -72.57 -34.6 67.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.399 -0.813 . . . . 0.0 109.958 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 51' ' ' LEU . 10.0 mt -83.9 -61.39 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.443 -0.786 . . . . 0.0 109.995 179.803 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.99 84.87 0.33 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.74 -69.2 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.435 -0.791 . . . . 0.0 110.167 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -90.13 -37.77 13.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.313 -0.867 . . . . 0.0 110.253 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.53 -35.34 0.23 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -117.08 122.84 45.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.373 -1.074 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 55' ' ' ILE . 9.3 t-80 -155.7 121.36 4.97 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.335 -0.853 . . . . 0.0 110.111 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -91.49 128.67 37.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.338 -0.851 . . . . 0.0 110.123 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CD1' HD22 ' A' ' 32' ' ' LEU . 73.0 mt -87.7 127.7 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 110.242 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.73 160.07 16.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.461 -0.774 . . . . 0.0 110.041 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.728 ' CE2' HD11 ' A' ' 69' ' ' LEU . 22.2 t80 -56.66 -36.5 69.63 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.257 -0.902 . . . . 0.0 110.361 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.0 m -62.97 -54.67 34.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.393 -0.817 . . . . 0.0 110.119 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.62 -28.53 69.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.416 -0.802 . . . . 0.0 110.237 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -69.87 -47.95 60.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.481 -0.762 . . . . 0.0 110.24 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.728 HD11 ' CE2' ' A' ' 65' ' ' PHE . 50.5 mt -60.45 -35.74 76.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.356 -0.84 . . . . 0.0 110.11 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.2 -48.11 62.98 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.426 -0.796 . . . . 0.0 110.196 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.04 -42.76 99.09 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.381 -0.824 . . . . 0.0 110.201 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.5 mmm -63.44 -38.51 91.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.392 -0.817 . . . . 0.0 110.167 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -61.14 -39.46 90.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.347 -0.846 . . . . 0.0 110.203 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -70.35 -32.75 70.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.328 -0.857 . . . . 0.0 110.131 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -84.7 -33.73 23.1 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.385 -0.822 . . . . 0.0 110.167 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.3 mt -76.4 -31.76 58.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.307 -0.87 . . . . 0.0 110.167 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -85.12 60.64 6.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.295 -0.878 . . . . 0.0 110.109 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.9 t -119.98 -76.86 0.58 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.308 -0.87 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 t30 51.7 91.65 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.235 -0.915 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.416 ' OD2' ' NE2' ' A' ' 83' ' ' GLN . 0.7 OUTLIER -102.58 67.78 1.02 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.415 -0.803 . . . . 0.0 110.311 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.09 -40.13 28.22 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.411 -0.805 . . . . 0.0 110.153 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.16 -35.79 81.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.327 -0.858 . . . . 0.0 110.236 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.416 ' NE2' ' OD2' ' A' ' 80' ' ' ASP . 7.1 mt-30 -72.74 -20.77 61.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.33 -0.856 . . . . 0.0 110.324 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -49.6 12.69 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.204 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.75 -39.8 74.65 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.937 -178.893 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.69 -43.84 83.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.577 -0.702 . . . . 0.0 109.707 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.668 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.1 mt-10 -58.42 -41.25 84.57 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.441 -0.787 . . . . 0.0 110.149 179.759 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.0 64.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.29 -0.881 . . . . 0.0 109.993 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.665 ' HB3' HD13 ' A' ' 137' ' ' ILE . 4.7 m-85 -60.73 -27.35 67.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.139 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -38.05 59.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.013 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 87' ' ' GLU . 68.0 t -62.39 -46.06 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.302 -0.874 . . . . 0.0 110.062 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD1' HG22 ' A' ' 108' ' ' VAL . 13.4 m-85 -63.08 -34.1 76.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 95' ' ' ASN . 27.2 t0 -81.93 -10.03 59.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.354 -0.841 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.72 -76.01 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.33 -0.856 . . . . 0.0 110.452 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' ASP . 19.0 m120 -154.77 31.2 0.41 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.102 -0.999 . . . . 0.0 110.255 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -91.31 42.88 2.81 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.854 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.92 -75.09 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.462 -1.023 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' GLY . . . -173.22 52.88 0.16 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.422 ' C ' HG23 ' A' ' 100' ' ' ILE . 8.1 mt -137.07 136.24 38.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.435 -1.038 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.422 HG23 ' C ' ' A' ' 99' ' ' LEU . 42.9 pt -147.47 160.4 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.392 -0.818 . . . . 0.0 110.215 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.54 160.2 26.58 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.335 -0.853 . . . . 0.0 110.229 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.57 41.1 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.329 -0.857 . . . . 0.0 110.556 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.37 -55.0 36.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.306 -0.871 . . . . 0.0 110.118 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.773 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.5 mm-40 -63.58 -29.15 70.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.285 -0.884 . . . . 0.0 109.967 179.762 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.692 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.3 tp -70.37 -39.02 74.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.367 -0.833 . . . . 0.0 110.098 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -69.72 -36.72 76.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.326 -0.859 . . . . 0.0 110.218 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -68.51 -35.47 77.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.217 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 104' ' ' GLU . 90.1 t -69.66 -43.66 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.448 -0.782 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.48 -34.62 77.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.882 . . . . 0.0 110.054 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.7 m -79.99 -31.3 39.79 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.339 -0.851 . . . . 0.0 110.102 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.0 t -71.99 -42.55 66.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.344 -0.847 . . . . 0.0 110.158 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.431 HD11 HG12 ' A' ' 108' ' ' VAL . 73.3 mt -62.46 -27.77 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.333 -0.855 . . . . 0.0 109.994 179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.95 28.89 27.4 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.0 148.33 46.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.265 -1.138 . . . . 0.0 110.095 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.62 61.94 6.56 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.357 -0.839 . . . . 0.0 110.325 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.4 HD11 HD22 ' A' ' 144' ' ' LEU . 26.7 mt -115.08 120.47 39.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.313 -0.867 . . . . 0.0 110.107 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.6 p -79.28 -175.97 4.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.338 -0.851 . . . . 0.0 110.251 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -31.95 68.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.93 99.41 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.422 -0.799 . . . . 0.0 110.129 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.2 -51.54 67.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.424 -0.798 . . . . 0.0 110.18 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.411 HG12 HD12 ' A' ' 125' ' ' LEU . 57.5 t -62.32 -27.97 43.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.338 -0.851 . . . . 0.0 110.07 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.62 -45.53 61.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.35 -0.844 . . . . 0.0 110.115 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -71.33 -34.57 70.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.357 -0.839 . . . . 0.0 110.161 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.464 ' O ' HG23 ' A' ' 128' ' ' VAL . 17.5 mtp -74.85 -26.27 59.57 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.374 -0.829 . . . . 0.0 110.194 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.411 HD12 HG12 ' A' ' 121' ' ' VAL . 9.7 mt -76.28 -39.11 55.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.276 -0.89 . . . . 0.0 110.194 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -33.38 74.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.367 -0.833 . . . . 0.0 110.146 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -80.06 -27.27 39.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.855 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.722 HG12 HG23 ' A' ' 135' ' ' ILE . 51.7 t -98.74 -60.9 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.307 -0.871 . . . . 0.0 110.158 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -61.56 116.79 5.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.429 -0.794 . . . . 0.0 110.202 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -145.69 28.37 1.17 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.358 -0.839 . . . . 0.0 110.229 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -148.1 -107.78 0.48 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.0 t -171.85 -35.81 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.342 -1.093 . . . . 0.0 110.328 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -55.37 -96.08 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.15 160.16 41.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -1.135 . . . . 0.0 110.437 -179.791 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.722 HG23 HG12 ' A' ' 128' ' ' VAL . 67.4 mt -94.79 145.29 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.369 -0.832 . . . . 0.0 110.107 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -80.7 132.82 35.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.665 HD13 ' HB3' ' A' ' 89' ' ' PHE . 4.5 pt -69.45 -17.93 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.425 -0.797 . . . . 0.0 110.507 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 -53.33 59.49 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.27 -0.894 . . . . 0.0 110.228 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -62.55 -48.86 77.64 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.422 -0.799 . . . . 0.0 110.172 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.692 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.44 -50.95 69.44 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.299 -0.876 . . . . 0.0 110.004 179.858 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.86 -28.74 69.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.388 -0.82 . . . . 0.0 110.157 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.65 62.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.403 -0.81 . . . . 0.0 110.062 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.4 mt -69.0 -33.58 73.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -0.831 . . . . 0.0 110.07 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.4 HD22 HD11 ' A' ' 116' ' ' LEU . 88.6 mt -74.07 -52.81 11.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.341 -0.849 . . . . 0.0 110.125 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.7 t -73.47 -64.31 1.02 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 110.148 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.251 179.996 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.209 0.528 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -131.23 -165.13 1.52 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.396 -0.815 . . . . 0.0 110.244 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 58.0 166.13 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.487 -0.758 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.542 HD22 ' HE2' ' A' ' 12' ' ' PHE . 25.8 mt -69.67 119.48 13.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.314 -0.866 . . . . 0.0 110.246 -179.891 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p -66.21 174.09 2.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.322 -0.861 . . . . 0.0 109.959 179.825 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -62.1 -36.46 81.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.318 -0.864 . . . . 0.0 110.192 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -69.2 -38.32 78.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.358 -0.839 . . . . 0.0 110.054 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 3.8 mm-40 -67.97 -43.76 78.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.335 -0.853 . . . . 0.0 110.012 179.817 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 4' ' ' LEU . 51.1 mt -66.24 -39.88 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.41 -0.806 . . . . 0.0 109.925 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.74 -36.24 80.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.305 -0.872 . . . . 0.0 109.901 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.09 -53.49 57.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.348 -0.845 . . . . 0.0 109.775 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.542 ' HE2' HD22 ' A' ' 4' ' ' LEU . 25.2 m-85 -60.27 -30.55 69.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.395 -0.816 . . . . 0.0 109.502 179.408 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -61.29 -43.36 99.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.582 -0.699 . . . . 0.0 109.974 179.618 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.17 -43.68 86.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.421 -0.799 . . . . 0.0 110.328 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.67 -28.15 60.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.292 -0.88 . . . . 0.0 110.419 -179.878 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -80.12 -36.24 35.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.194 -0.941 . . . . 0.0 110.228 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.77 -25.46 53.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.434 -0.792 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.21 -26.66 63.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.361 -0.837 . . . . 0.0 110.325 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -108.5 26.31 10.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.283 -0.885 . . . . 0.0 110.355 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -127.11 -99.78 0.37 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 0.0 110.176 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt 51.41 57.67 6.35 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.947 -1.096 . . . . 0.0 110.604 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -126.48 -39.57 2.01 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.301 -0.874 . . . . 0.0 110.396 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -168.98 -63.59 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.9 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -114.91 -75.2 0.59 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.334 -0.854 . . . . 0.0 110.264 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.1 68.95 0.07 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.0 p -138.55 130.2 27.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.326 -1.102 . . . . 0.0 110.143 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -111.95 158.57 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.401 -0.812 . . . . 0.0 110.249 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -89.15 160.24 17.1 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 110.325 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -37.25 76.79 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.473 -0.767 . . . . 0.0 110.429 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.82 -25.61 56.3 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.315 -0.866 . . . . 0.0 110.387 -179.778 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.764 ' O ' HG23 ' A' ' 35' ' ' VAL . 37.7 mt-10 -98.72 -16.17 19.08 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.424 -0.797 . . . . 0.0 110.381 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD22 ' CD1' ' A' ' 63' ' ' ILE . 58.4 tp -57.16 -52.67 64.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.221 -0.924 . . . . 0.0 110.396 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.34 81.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.343 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.2 m -66.54 -39.03 88.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 31' ' ' GLU . 97.6 t -61.51 -39.85 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.32 -0.863 . . . . 0.0 109.871 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.8 mtt -67.43 -33.66 75.62 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.315 -0.866 . . . . 0.0 109.667 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -69.09 -29.67 67.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.47 -0.769 . . . . 0.0 109.977 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -77.88 -35.35 50.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.818 . . . . 0.0 110.208 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.26 -29.27 68.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.355 -0.841 . . . . 0.0 110.114 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.83 -5.65 4.05 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -80.98 172.56 13.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -1.185 . . . . 0.0 110.229 -179.82 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.8 t -167.3 61.53 0.58 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.438 -0.789 . . . . 0.0 110.054 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HB2' ' CB ' ' A' ' 47' ' ' GLU . 45.9 Cg_endo -73.63 137.49 25.14 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.723 1.38 . . . . 0.0 110.416 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 m -64.28 174.29 1.69 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.364 -0.835 . . . . 0.0 109.999 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.23 -30.75 66.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.279 -0.888 . . . . 0.0 110.164 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.69 81.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.478 -0.764 . . . . 0.0 109.942 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 43' ' ' PRO . 26.9 mt-10 -65.18 -41.91 94.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.397 -0.815 . . . . 0.0 109.686 179.698 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.55 -43.85 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.399 -0.813 . . . . 0.0 109.645 179.559 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -54.88 -45.57 74.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.874 . . . . 0.0 110.034 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.68 -48.51 77.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.333 -0.854 . . . . 0.0 109.662 179.484 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -63.02 -53.1 59.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.421 -0.799 . . . . 0.0 109.885 179.542 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -61.95 -26.99 68.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.353 -0.842 . . . . 0.0 110.15 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -67.64 -37.72 82.86 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.357 -0.839 . . . . 0.0 109.966 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -78.76 -30.01 45.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.356 -0.84 . . . . 0.0 109.983 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.1 mt -90.34 -64.17 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 0.0 110.012 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -54.65 100.47 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.343 -0.848 . . . . 0.0 110.392 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.24 -36.43 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.446 -0.784 . . . . 0.0 110.329 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -147.85 -63.4 0.26 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.229 -0.919 . . . . 0.0 110.513 -179.831 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.13 -59.37 0.18 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -119.68 162.97 18.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.303 -1.116 . . . . 0.0 110.4 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -166.58 122.68 1.22 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.485 -0.76 . . . . 0.0 110.042 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -83.99 119.61 25.13 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.314 -0.866 . . . . 0.0 110.231 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.511 ' CD1' HD22 ' A' ' 32' ' ' LEU . 80.0 mt -90.82 141.51 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.417 -0.802 . . . . 0.0 110.148 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -100.2 160.05 14.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.431 -0.793 . . . . 0.0 110.09 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.8 ' CE2' HD11 ' A' ' 69' ' ' LEU . 23.9 t80 -58.33 -34.86 71.09 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.349 -0.844 . . . . 0.0 110.438 -179.83 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -62.38 -57.45 11.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.378 -0.826 . . . . 0.0 110.173 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.63 -31.34 72.17 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.423 -0.798 . . . . 0.0 110.08 179.842 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -65.66 -48.69 71.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.422 -0.799 . . . . 0.0 110.138 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.8 HD11 ' CE2' ' A' ' 65' ' ' PHE . 45.1 mt -59.44 -38.96 82.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.327 -0.858 . . . . 0.0 110.169 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.1 -46.9 82.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.35 -0.844 . . . . 0.0 109.988 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.34 -42.62 98.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.374 -0.829 . . . . 0.0 109.985 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.722 ' O ' HD12 ' A' ' 76' ' ' LEU . 90.7 mmm -65.22 -38.61 90.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.456 -0.778 . . . . 0.0 110.073 179.818 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -63.02 -33.72 76.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.434 -0.792 . . . . 0.0 110.182 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -77.81 -31.42 51.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.319 -0.863 . . . . 0.0 110.06 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -86.25 -26.79 24.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.445 -0.784 . . . . 0.0 110.221 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 72' ' ' MET . 3.5 mt -94.29 41.14 1.09 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -0.876 . . . . 0.0 110.239 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.0 89.0 0.12 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.131 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.0 p -99.96 28.29 4.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -80.31 -29.11 38.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.438 -0.789 . . . . 0.0 110.185 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -113.18 -28.11 7.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.428 -0.795 . . . . 0.0 110.221 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.4 m -59.26 -50.47 73.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.292 -0.88 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.95 -55.6 27.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.41 -0.806 . . . . 0.0 110.159 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.39 -27.06 63.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.34 -0.85 . . . . 0.0 110.34 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -67.56 -43.29 81.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.362 -0.836 . . . . 0.0 110.036 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -47.05 78.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.351 -0.843 . . . . 0.0 110.062 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.65 -35.16 80.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 110.052 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -71.38 -43.81 66.17 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.429 -0.795 . . . . 0.0 110.107 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.05 98.59 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.272 -0.892 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.507 ' HB3' HG21 ' A' ' 137' ' ' ILE . 13.5 m-85 -66.96 -31.98 72.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.123 179.848 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -66.52 -39.78 88.8 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.413 -0.804 . . . . 0.0 110.155 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.86 -34.13 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.876 . . . . 0.0 110.08 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.535 ' CE2' HG22 ' A' ' 108' ' ' VAL . 7.5 m-85 -71.97 -30.31 65.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.339 -0.851 . . . . 0.0 110.182 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -93.91 164.3 13.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.458 -0.776 . . . . 0.0 110.236 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 96' ' ' GLY . 29.3 mmtt -97.16 169.51 9.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 110.227 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 55.74 -86.4 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.601 -0.687 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 155.91 50.37 0.01 OUTLIER Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.0 -53.66 3.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.343 -1.092 . . . . 0.0 110.235 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.27 38.68 1.0 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.4 mt -126.95 124.87 40.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.317 -1.107 . . . . 0.0 110.189 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.2 pt -145.49 160.13 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.352 -0.842 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.3 m -79.81 160.22 26.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.446 -0.783 . . . . 0.0 110.183 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.72 -27.54 28.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.293 -0.879 . . . . 0.0 110.489 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.09 -55.03 21.12 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.339 -0.851 . . . . 0.0 110.092 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.757 ' O ' HG23 ' A' ' 108' ' ' VAL . 27.5 mt-10 -61.88 -33.12 73.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.36 -0.838 . . . . 0.0 110.082 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.823 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -67.39 -39.58 85.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.443 -0.786 . . . . 0.0 110.053 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -67.11 -39.89 86.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.458 -0.776 . . . . 0.0 110.195 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -67.75 -29.05 68.17 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.326 -0.859 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 104' ' ' GLU . 77.2 t -78.92 -42.87 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.32 -0.862 . . . . 0.0 110.136 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.439 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -63.09 -31.12 72.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.369 -0.832 . . . . 0.0 110.098 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.0 m -74.6 -43.08 57.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.319 -0.863 . . . . 0.0 110.205 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.1 t -61.95 -38.68 89.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.379 -0.826 . . . . 0.0 110.12 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 109' ' ' LEU . 62.9 mt -64.59 -26.56 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.305 -0.872 . . . . 0.0 110.094 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.57 33.44 55.98 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.98 179.75 0.26 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.417 -1.049 . . . . 0.0 110.082 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -110.02 62.41 0.6 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.417 -0.802 . . . . 0.0 110.222 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.406 ' CD1' ' CD2' ' A' ' 144' ' ' LEU . 76.6 mt -132.44 111.45 11.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.354 -0.841 . . . . 0.0 110.219 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.7 p -62.41 178.99 0.35 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.358 -0.839 . . . . 0.0 110.208 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.27 -37.88 88.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.315 -0.866 . . . . 0.0 110.187 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.75 -29.13 69.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 110.141 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.7 -50.0 34.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.32 -0.862 . . . . 0.0 110.124 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.5 t -62.21 -30.07 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.406 -0.809 . . . . 0.0 109.941 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.09 -45.41 73.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.321 -0.862 . . . . 0.0 110.049 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.35 -33.18 73.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.38 -0.825 . . . . 0.0 110.06 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.441 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 7.8 ttp -73.36 -28.85 62.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.441 -0.787 . . . . 0.0 110.066 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.05 -32.62 59.4 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.831 . . . . 0.0 110.07 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -68.07 -32.92 73.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.402 -0.811 . . . . 0.0 110.172 179.905 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -28.01 39.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.355 -0.84 . . . . 0.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.526 HG12 HG23 ' A' ' 135' ' ' ILE . 57.3 t -93.95 -25.79 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.7 t -61.67 88.18 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 110.337 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.54 -30.18 7.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.387 -0.821 . . . . 0.0 110.166 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.71 -95.84 0.54 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.8 m -159.79 -42.89 0.05 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.409 -1.053 . . . . 0.0 110.271 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.11 -45.19 0.04 OUTLIER Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -79.95 141.16 36.27 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.313 -1.11 . . . . 0.0 110.171 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.526 HG23 HG12 ' A' ' 128' ' ' VAL . 79.0 mt -130.08 159.88 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.361 -0.837 . . . . 0.0 110.145 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -88.16 128.15 35.44 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.442 -0.786 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.507 HG21 ' HB3' ' A' ' 89' ' ' PHE . 17.3 pt -67.97 -21.37 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.381 -0.825 . . . . 0.0 110.491 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -59.56 -53.68 55.26 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.291 -0.881 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -42.73 99.61 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.463 -0.773 . . . . 0.0 110.155 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.823 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -69.47 -33.7 73.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.39 -0.819 . . . . 0.0 110.077 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.86 -28.41 67.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.278 -0.889 . . . . 0.0 110.101 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.79 -35.33 38.71 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.389 -0.819 . . . . 0.0 110.125 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.36 -33.97 73.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.248 -0.908 . . . . 0.0 110.197 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.406 ' CD2' ' CD1' ' A' ' 116' ' ' LEU . 90.4 mt -79.65 -49.81 11.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.345 -0.847 . . . . 0.0 110.19 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.7 m -68.57 151.6 46.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 110.225 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.238 0.542 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -146.12 -177.8 5.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.38 -0.825 . . . . 0.0 110.201 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 t30 62.01 131.88 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.554 -0.716 . . . . 0.0 110.478 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.597 HD22 ' HE2' ' A' ' 12' ' ' PHE . 33.3 mt -63.39 124.62 21.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.29 -0.881 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 p -76.81 175.6 9.28 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.39 -0.818 . . . . 0.0 109.981 179.777 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.03 -33.76 73.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.282 -0.886 . . . . 0.0 110.131 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.73 -49.26 69.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.334 -0.853 . . . . 0.0 110.0 179.887 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.9 mt-30 -64.4 -43.51 94.19 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.378 -0.826 . . . . 0.0 110.081 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.42 HD11 ' O ' ' A' ' 4' ' ' LEU . 77.1 mt -64.71 -30.95 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.835 . . . . 0.0 109.889 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.56 86.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.379 -0.825 . . . . 0.0 110.029 179.871 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.56 -48.12 80.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.369 -0.832 . . . . 0.0 110.1 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.597 ' HE2' HD22 ' A' ' 4' ' ' LEU . 25.9 m-85 -60.95 -36.86 80.47 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.269 -0.894 . . . . 0.0 110.029 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 4.5 ttmm -60.57 -40.83 93.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.461 -0.774 . . . . 0.0 110.174 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.89 -52.3 63.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.422 -0.799 . . . . 0.0 110.042 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.64 84.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.344 -0.847 . . . . 0.0 110.159 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.762 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.1 t80 -67.59 -46.2 73.29 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.364 -0.835 . . . . 0.0 110.116 179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -29.77 70.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.336 -0.853 . . . . 0.0 110.138 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.38 -37.13 84.56 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.441 -0.787 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -103.69 26.04 9.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.308 -0.87 . . . . 0.0 110.21 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.82 138.69 44.46 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.395 -0.816 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' C ' ' CD ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -152.58 42.45 0.64 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 110.813 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.78 -76.38 0.61 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.324 -0.86 . . . . 0.0 110.186 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -168.75 -74.81 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.269 -0.894 . . . . 0.0 110.198 179.935 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.21 -61.95 2.11 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.391 -0.818 . . . . 0.0 110.218 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.64 82.15 0.05 OUTLIER Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 p -138.18 134.69 34.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -1.093 . . . . 0.0 110.294 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.762 HG23 ' CE1' ' A' ' 16' ' ' PHE . 42.6 pt -120.15 159.88 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.424 -0.797 . . . . 0.0 110.177 179.891 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -82.64 155.79 24.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.331 -0.856 . . . . 0.0 110.171 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.02 -28.39 69.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.386 -0.821 . . . . 0.0 110.156 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.7 m -60.7 -34.42 74.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.326 -0.859 . . . . 0.0 110.157 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.75 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.0 mt-10 -91.45 -11.28 38.05 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.437 -0.79 . . . . 0.0 110.46 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' CD1' ' A' ' 63' ' ' ILE . 56.6 tp -57.1 -48.86 77.59 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.156 -0.965 . . . . 0.0 110.367 -179.86 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.68 88.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.311 -0.868 . . . . 0.0 110.118 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.8 m -66.51 -40.65 89.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.934 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 31' ' ' GLU . 97.1 t -57.53 -40.02 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.294 -0.879 . . . . 0.0 109.712 179.606 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.2 mtt -71.09 -29.51 65.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.43 -0.794 . . . . 0.0 109.509 179.383 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -37.61 87.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.468 -0.77 . . . . 0.0 109.766 179.646 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -33.06 39.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.406 -0.809 . . . . 0.0 110.175 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.6 -23.39 67.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.343 -0.848 . . . . 0.0 110.306 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.37 31.14 1.73 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -122.4 177.24 5.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.317 -1.107 . . . . 0.0 110.075 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.1 p -167.92 66.28 0.75 Allowed Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.36 137.84 26.36 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.761 1.4 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -61.72 175.71 0.61 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.363 -0.836 . . . . 0.0 110.186 179.962 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -33.65 74.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.422 -0.799 . . . . 0.0 110.168 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.6 95.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.316 -0.865 . . . . 0.0 110.091 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.33 -39.66 92.7 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.41 -0.806 . . . . 0.0 110.035 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 44' ' ' SER . 62.6 t -66.18 -40.78 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.497 -0.752 . . . . 0.0 109.975 179.904 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -36.78 84.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 110.027 179.889 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -63.45 -48.08 79.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.347 -0.846 . . . . 0.0 110.088 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.467 HD21 ' CD ' ' A' ' 75' ' ' GLN . 23.4 mt -63.05 -39.37 94.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.374 -0.829 . . . . 0.0 110.08 179.836 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.6 mtt -68.05 -29.58 68.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.349 -0.844 . . . . 0.0 110.076 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -68.12 -43.4 78.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.38 -0.825 . . . . 0.0 110.048 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.28 -28.06 64.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.84 . . . . 0.0 110.058 179.875 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.587 HD13 HD11 ' A' ' 63' ' ' ILE . 2.6 mt -88.14 -53.28 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.366 -0.834 . . . . 0.0 110.039 179.908 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -52.79 110.32 0.51 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.176 -0.952 . . . . 0.0 110.663 -179.605 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.015 HG22 ' HB2' ' A' ' 61' ' ' HIS . 9.3 m -113.88 -33.29 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.446 -0.784 . . . . 0.0 110.175 179.731 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.1 15.98 3.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.381 -0.825 . . . . 0.0 109.969 179.718 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.5 11.17 59.77 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -171.32 41.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.005 -1.291 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 1.015 ' HB2' HG22 ' A' ' 57' ' ' VAL . 3.8 t-160 -71.23 115.98 11.01 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.07 -1.019 . . . . 0.0 109.624 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -79.41 125.28 29.33 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.292 -0.88 . . . . 0.0 109.807 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.587 HD11 HD13 ' A' ' 55' ' ' ILE . 79.4 mt -79.96 125.72 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 0.0 110.394 -179.663 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 160.21 16.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.48 -0.762 . . . . 0.0 109.969 179.788 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 69' ' ' LEU . 21.1 t80 -56.27 -36.24 68.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.311 -0.868 . . . . 0.0 110.34 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -54.92 25.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.891 . . . . 0.0 110.066 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.87 -35.16 79.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.412 -0.805 . . . . 0.0 110.095 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.13 -48.2 81.19 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.396 -0.815 . . . . 0.0 110.093 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 65' ' ' PHE . 48.1 mt -58.89 -39.92 82.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.305 -0.872 . . . . 0.0 110.151 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.96 -48.88 69.84 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.267 -0.896 . . . . 0.0 110.052 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.2 -37.21 86.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.319 -0.863 . . . . 0.0 109.918 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.76 ' O ' HD12 ' A' ' 76' ' ' LEU . 85.8 mmm -64.93 -42.96 94.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.422 -0.799 . . . . 0.0 110.047 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.8 t -59.41 -41.31 89.19 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.302 -0.874 . . . . 0.0 110.267 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -61.53 -40.43 94.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.801 . . . . 0.0 110.156 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.467 ' CD ' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -83.39 -26.42 30.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.387 -0.82 . . . . 0.0 110.335 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 72' ' ' MET . 0.5 OUTLIER -79.23 -7.26 58.11 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.248 -0.908 . . . . 0.0 110.744 -179.824 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -59.12 -85.27 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.128 -0.983 . . . . 0.0 110.173 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 t 49.93 26.61 2.05 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.202 -0.936 . . . . 0.0 110.666 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -117.14 -173.4 2.4 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.306 -0.871 . . . . 0.0 110.349 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.7 136.36 53.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.457 -0.777 . . . . 0.0 110.203 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.8 p -63.04 -19.98 64.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.38 -0.825 . . . . 0.0 110.388 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -57.62 -57.64 11.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.226 -0.921 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.11 -35.68 73.85 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.358 -0.839 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.56 -37.45 86.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.389 -0.82 . . . . 0.0 110.13 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.57 HD22 ' HE2' ' A' ' 89' ' ' PHE . 3.2 mt -65.99 -46.65 77.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.347 -0.846 . . . . 0.0 110.149 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.37 -30.6 70.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.363 -0.836 . . . . 0.0 110.149 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -71.42 -49.81 38.12 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.463 -0.773 . . . . 0.0 109.912 179.901 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.86 97.26 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.363 -0.836 . . . . 0.0 110.106 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HE2' HD22 ' A' ' 85' ' ' LEU . 7.1 m-85 -61.26 -43.1 99.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.314 -0.866 . . . . 0.0 110.091 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -61.47 -37.45 83.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.374 -0.829 . . . . 0.0 110.124 179.889 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 87' ' ' GLU . 65.7 t -63.86 -37.37 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.367 -0.833 . . . . 0.0 110.051 179.819 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -73.72 -32.4 63.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.464 -0.773 . . . . 0.0 110.223 179.889 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -90.6 100.44 13.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.417 -0.802 . . . . 0.0 110.261 -179.939 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -60.53 -59.18 5.8 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 110.042 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -146.51 42.59 1.17 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.344 -0.848 . . . . 0.0 110.197 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.55 31.11 7.82 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 p30 36.86 34.84 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.731 -0.864 . . . . 0.0 111.377 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.59 40.63 5.94 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.487 HD21 ' ND2' ' A' ' 136' ' ' ASN . 96.0 mt -137.07 114.12 10.64 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.293 -1.122 . . . . 0.0 110.268 179.892 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.53 HD11 HD12 ' A' ' 105' ' ' LEU . 42.8 pt -124.7 160.28 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.417 -0.802 . . . . 0.0 110.153 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.7 t -79.63 160.05 26.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 0.0 110.199 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.8 -32.69 65.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.35 -0.844 . . . . 0.0 110.383 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.2 -54.28 40.06 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.31 -0.869 . . . . 0.0 110.107 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.788 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 mm-40 -61.6 -36.71 81.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.369 -0.832 . . . . 0.0 110.094 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.807 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -65.02 -39.43 93.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.097 179.85 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -66.07 -42.86 88.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 110.131 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -63.95 -29.29 70.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.203 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 104' ' ' GLU . 70.0 t -74.22 -45.65 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.424 -0.798 . . . . 0.0 110.014 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -31.44 70.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.271 -0.893 . . . . 0.0 110.215 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.4 m -80.08 -33.82 38.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.362 -0.837 . . . . 0.0 110.144 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.1 t -71.22 -40.06 71.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.349 -0.845 . . . . 0.0 110.207 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.15 -26.28 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.443 -0.785 . . . . 0.0 110.082 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.88 28.6 41.44 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.95 -179.11 0.67 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.404 -1.056 . . . . 0.0 110.081 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -107.04 40.98 1.55 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.364 -0.835 . . . . 0.0 110.197 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 116' ' ' LEU . 77.3 mt -119.04 104.79 10.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.374 -0.829 . . . . 0.0 110.162 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.4 p -67.21 179.15 1.26 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.39 -0.819 . . . . 0.0 110.184 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.01 -36.55 83.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.4 -0.812 . . . . 0.0 110.214 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.51 96.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.399 -0.813 . . . . 0.0 110.136 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.48 -50.54 72.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.322 -0.862 . . . . 0.0 110.143 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.492 HG12 ' CD1' ' A' ' 125' ' ' LEU . 99.0 t -61.54 -29.45 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.335 -0.853 . . . . 0.0 110.011 179.81 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -43.08 95.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.361 -0.837 . . . . 0.0 109.918 179.765 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.67 -34.17 76.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.377 -0.827 . . . . 0.0 109.974 179.817 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.699 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.2 ttm -79.64 -31.33 41.52 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 110.043 179.813 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.492 ' CD1' HG12 ' A' ' 121' ' ' VAL . 6.0 mt -64.27 -42.6 96.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.475 -0.766 . . . . 0.0 110.206 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -62.97 -37.61 87.78 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.409 -0.807 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -80.11 -28.21 39.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.837 . . . . 0.0 110.223 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 124' ' ' MET . 71.6 t -92.22 -64.84 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.374 -0.829 . . . . 0.0 110.098 -179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.8 t -65.07 -43.16 93.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.36 -0.838 . . . . 0.0 110.229 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.6 t0 52.85 36.78 22.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.341 -0.849 . . . . 0.0 110.411 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.2 96.72 0.03 OUTLIER Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -166.46 -56.3 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.432 -1.04 . . . . 0.0 110.241 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 130.43 -72.88 0.47 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -81.45 135.39 35.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.294 -1.121 . . . . 0.0 110.072 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.459 HG23 HG12 ' A' ' 128' ' ' VAL . 55.5 mt -123.51 145.4 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.345 -0.847 . . . . 0.0 110.244 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.487 ' ND2' HD21 ' A' ' 99' ' ' LEU . 4.0 m120 -85.93 121.51 28.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.409 -0.807 . . . . 0.0 110.194 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 22.1 pt -61.24 -21.19 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.386 -0.821 . . . . 0.0 110.488 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -59.48 -48.22 82.5 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.228 -0.92 . . . . 0.0 110.271 -179.902 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.6 -44.18 78.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.388 -0.82 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.807 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.85 -48.19 81.65 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.356 -0.84 . . . . 0.0 110.08 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.02 -28.67 69.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.317 -0.864 . . . . 0.0 110.214 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.17 -36.16 58.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 110.127 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.699 HD13 ' CG ' ' A' ' 124' ' ' MET . 7.5 mt -68.72 -29.97 68.51 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.319 -0.863 . . . . 0.0 110.103 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 88.4 mt -79.76 -29.55 40.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.406 -0.809 . . . . 0.0 110.165 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.1 m -82.42 138.01 34.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.365 -0.834 . . . . 0.0 110.188 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.383 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.101 0.476 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -58.06 -41.55 83.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.32 -0.862 . . . . 0.0 110.282 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.92 -46.05 89.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.865 . . . . 0.0 109.988 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.424 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.1 mm100 -67.6 -45.18 76.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.5 -0.75 . . . . 0.0 109.971 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.99 -28.63 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.44 -0.788 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.36 -40.77 77.29 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.851 . . . . 0.0 110.124 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -65.23 -46.82 79.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.332 -0.855 . . . . 0.0 110.187 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 19.5 m-85 -62.4 -36.73 83.24 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.363 -0.835 . . . . 0.0 110.054 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -62.05 -40.3 95.29 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.439 -0.788 . . . . 0.0 110.178 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.05 -46.89 79.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.463 -0.773 . . . . 0.0 110.269 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -71.03 -34.92 71.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.358 -0.839 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -70.12 -44.32 69.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.134 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.96 -27.32 66.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 110.196 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 18' ' ' LEU . 11.7 mt -61.09 -46.48 90.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.365 -0.834 . . . . 0.0 110.298 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CD1' HG22 ' A' ' 35' ' ' VAL . 50.0 m-85 -83.68 -27.72 28.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.4 -0.813 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.277 -0.889 . . . . 0.0 109.925 179.845 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.4 m -141.94 141.92 32.98 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.394 -1.062 . . . . 0.0 110.195 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.2 pt -126.84 154.92 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 110.231 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -79.99 160.1 26.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.402 -0.811 . . . . 0.0 110.216 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -63.05 -28.87 70.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.348 -0.845 . . . . 0.0 110.176 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.3 m -60.74 -28.58 68.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.0 110.222 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.786 ' O ' HG23 ' A' ' 35' ' ' VAL . 35.7 mt-10 -96.59 -15.12 21.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.381 -0.824 . . . . 0.0 110.421 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.64 HD22 ' CD1' ' A' ' 63' ' ' ILE . 61.4 tp -57.4 -51.52 69.07 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.284 -0.885 . . . . 0.0 110.226 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.1 -39.73 79.35 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.325 -0.859 . . . . 0.0 110.243 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 m -68.78 -40.34 79.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.376 -0.827 . . . . 0.0 110.087 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 31' ' ' GLU . 84.4 t -61.59 -32.9 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 109.887 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.9 mtt -73.18 -36.58 66.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.37 -0.831 . . . . 0.0 109.875 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -66.7 -32.83 74.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.467 -0.771 . . . . 0.0 110.198 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.86 -28.9 39.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.336 -0.853 . . . . 0.0 110.16 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.35 -25.66 61.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.356 -0.84 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.87 36.15 0.64 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 mt -123.55 177.84 5.47 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.28 -1.129 . . . . 0.0 110.109 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 p -168.66 64.03 0.58 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.387 -0.821 . . . . 0.0 110.184 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.25 137.42 25.95 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 O-C-N 123.696 1.367 . . . . 0.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.54 168.04 5.05 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.421 -0.799 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.23 -25.96 59.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.255 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -40.1 68.32 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.427 -0.796 . . . . 0.0 109.995 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -69.55 -37.57 77.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.377 -0.827 . . . . 0.0 109.966 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.0 -38.16 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.351 -0.843 . . . . 0.0 109.877 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.96 -43.57 87.51 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.384 -0.823 . . . . 0.0 109.957 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -62.8 -44.59 95.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.351 -0.843 . . . . 0.0 109.982 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.55 -43.99 83.6 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 110.052 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.8 mtt -65.68 -29.02 69.51 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.31 -0.869 . . . . 0.0 109.964 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -66.99 -45.07 78.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.415 -0.803 . . . . 0.0 109.897 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.08 -36.89 85.51 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.388 -0.82 . . . . 0.0 109.879 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.0 mt -77.71 -57.59 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.445 -0.784 . . . . 0.0 109.799 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.41 -0.806 . . . . 0.0 110.185 -179.924 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.129 0.49 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.64 ' CD1' HD22 ' A' ' 32' ' ' LEU . 76.5 mt -79.94 124.4 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.315 -0.866 . . . . 0.0 110.31 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.74 160.17 15.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.433 -0.792 . . . . 0.0 109.949 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.669 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.5 t80 -55.07 -25.55 31.8 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.288 -0.883 . . . . 0.0 110.422 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.2 p -73.75 -52.89 11.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.283 -0.886 . . . . 0.0 110.023 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -66.42 -31.47 72.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.43 -0.794 . . . . 0.0 110.035 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -68.12 -47.18 68.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.359 -0.838 . . . . 0.0 110.083 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.669 HD11 ' CE2' ' A' ' 65' ' ' PHE . 56.7 mt -60.53 -37.19 80.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.272 -0.892 . . . . 0.0 110.053 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.41 75.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.406 -0.809 . . . . 0.0 110.074 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.08 -36.34 83.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.349 -0.844 . . . . 0.0 109.987 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.0 mmm -69.69 -37.68 76.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.319 -0.863 . . . . 0.0 109.901 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.397 -0.815 . . . . 0.0 110.076 179.789 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.178 0.514 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -34.9 68.87 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.384 -0.822 . . . . 0.0 110.235 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -62.28 -39.92 94.53 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 110.121 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.412 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -66.99 -44.44 80.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.364 -0.835 . . . . 0.0 110.052 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.54 -33.08 74.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.443 -0.785 . . . . 0.0 110.159 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.37 -46.01 74.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.424 -0.797 . . . . 0.0 110.121 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.89 83.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.447 -0.783 . . . . 0.0 110.179 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.743 ' HB3' HD13 ' A' ' 137' ' ' ILE . 15.9 m-85 -61.55 -28.93 69.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.433 -0.792 . . . . 0.0 110.165 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -42.06 75.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.355 -0.841 . . . . 0.0 110.047 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.39 -43.99 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.393 -0.817 . . . . 0.0 109.956 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -66.06 -28.81 69.12 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.384 -0.822 . . . . 0.0 110.146 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -86.04 97.75 10.46 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.324 -0.86 . . . . 0.0 110.153 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -70.21 -26.69 63.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.457 -0.777 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -59.73 -64.96 0.76 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.813 . . . . 0.0 110.226 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.1 -29.67 2.61 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.9 -52.21 15.6 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.356 -1.085 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.0 47.02 0.1 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.417 ' C ' HG23 ' A' ' 100' ' ' ILE . 51.7 mt -116.21 131.75 56.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.373 -1.075 . . . . 0.0 110.129 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.417 HG23 ' C ' ' A' ' 99' ' ' LEU . 42.0 pt -146.2 160.26 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 0.0 110.226 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.7 m -79.8 160.18 26.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.363 -0.836 . . . . 0.0 110.029 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.47 49.65 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.287 -0.883 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.29 -51.64 62.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.368 -0.832 . . . . 0.0 109.985 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.779 ' O ' HG23 ' A' ' 108' ' ' VAL . 38.7 mt-10 -63.89 -31.02 72.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.854 . . . . 0.0 110.008 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.828 HD21 ' CE2' ' A' ' 140' ' ' PHE . 24.9 tp -68.48 -40.75 80.86 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.829 . . . . 0.0 110.032 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -67.23 -39.34 86.23 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 0.0 110.069 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -66.4 -40.36 89.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.409 -0.807 . . . . 0.0 110.228 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 104' ' ' GLU . 90.3 t -64.59 -39.33 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.412 -0.805 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.96 -33.26 75.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.284 -0.885 . . . . 0.0 110.108 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 m -76.9 -40.96 45.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.394 -0.816 . . . . 0.0 110.194 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.0 m -61.81 -44.23 97.27 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.388 -0.82 . . . . 0.0 110.072 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.412 HD13 ' CD2' ' A' ' 85' ' ' LEU . 82.1 mt -60.8 -26.64 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.356 -0.84 . . . . 0.0 110.108 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.57 28.17 25.14 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 134.58 47.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.408 -1.054 . . . . 0.0 110.069 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.4 tpmp? -77.11 63.97 2.47 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.34 -0.85 . . . . 0.0 110.202 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.81 100.86 5.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.388 -0.82 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.0 p -63.05 -167.25 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.389 -0.819 . . . . 0.0 110.169 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.68 -31.58 65.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.851 . . . . 0.0 110.142 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.98 97.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.367 -0.833 . . . . 0.0 110.01 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -62.56 -53.22 57.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 110.075 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.439 HG12 HD12 ' A' ' 125' ' ' LEU . 61.3 t -59.18 -28.68 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.849 . . . . 0.0 110.003 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.09 -48.5 65.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.382 -0.824 . . . . 0.0 109.994 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.62 -33.58 75.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.628 ' HG2' HD13 ' A' ' 143' ' ' LEU . 5.5 ttp -76.42 -31.23 57.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 109.976 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.439 HD12 HG12 ' A' ' 121' ' ' VAL . 7.4 mt -69.83 -33.59 72.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.406 -0.809 . . . . 0.0 110.078 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -65.23 -39.7 93.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.84 . . . . 0.0 110.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.08 -27.3 39.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.322 -0.861 . . . . 0.0 110.383 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.644 HG11 ' HD1' ' A' ' 140' ' ' PHE . 59.5 t -91.07 -57.65 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.247 -0.908 . . . . 0.0 110.212 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.5 m -56.9 130.64 46.74 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.381 -0.824 . . . . 0.0 110.323 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.0 -32.49 7.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.846 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 136.07 54.15 0.06 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.8 t -132.2 -67.92 0.64 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.325 -1.103 . . . . 0.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.68 -49.49 0.47 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.616 -1.393 . . . . 0.0 109.616 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -99.28 129.94 45.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.307 -1.114 . . . . 0.0 110.213 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 84.6 mt -100.55 154.43 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.45 135.38 33.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.341 -0.85 . . . . 0.0 110.2 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 89' ' ' PHE . 1.7 pt -73.87 -17.96 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.371 -0.831 . . . . 0.0 110.477 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.94 -54.12 49.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.908 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -68.66 -42.01 78.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.38 -0.825 . . . . 0.0 110.205 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.828 ' CE2' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.63 -40.98 93.12 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.37 -0.831 . . . . 0.0 110.056 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.45 87.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.186 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.65 -39.66 76.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.37 -0.831 . . . . 0.0 110.198 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.628 HD13 ' HG2' ' A' ' 124' ' ' MET . 3.2 mt -60.54 -34.69 74.5 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.343 -0.848 . . . . 0.0 110.234 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.71 -33.34 41.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.334 -0.854 . . . . 0.0 110.335 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.395 -0.815 . . . . 0.0 110.397 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.083 0.468 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.09 -35.45 78.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.347 -0.845 . . . . 0.0 110.138 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.87 -39.95 79.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.449 -0.782 . . . . 0.0 110.016 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 18.2 mm-40 -69.41 -43.46 73.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.31 -32.4 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.326 -0.859 . . . . 0.0 110.092 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.48 70.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.391 -0.818 . . . . 0.0 110.095 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -68.52 -48.53 64.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.388 -0.82 . . . . 0.0 110.127 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.457 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 25.8 m-85 -61.27 -38.54 87.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 110.069 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 9.2 ttmt -61.8 -41.7 98.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.421 -0.799 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.9 -49.26 78.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.337 -0.852 . . . . 0.0 110.319 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.58 -27.2 63.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.403 -0.811 . . . . 0.0 110.259 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.9 t80 -76.16 -41.88 48.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.268 -0.895 . . . . 0.0 110.122 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.07 -28.09 65.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.327 -0.858 . . . . 0.0 110.129 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.43 -31.54 72.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.349 -0.844 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -107.4 28.29 8.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.416 -0.803 . . . . 0.0 110.245 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.2 t70 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.348 -0.845 . . . . 0.0 110.165 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -154.64 144.81 21.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.402 -1.058 . . . . 0.0 110.146 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.6 pt -125.84 159.98 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 0.0 110.239 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.4 m -84.72 160.07 20.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.44 -0.788 . . . . 0.0 110.248 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -38.05 82.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.434 -0.791 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.99 -28.04 62.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.414 -0.804 . . . . 0.0 110.278 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.812 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.2 mt-10 -90.71 -19.17 23.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.323 -0.861 . . . . 0.0 110.266 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD22 HD13 ' A' ' 55' ' ' ILE . 59.7 tp -54.68 -51.16 66.38 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -0.872 . . . . 0.0 110.454 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.28 -41.46 88.95 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.337 -0.852 . . . . 0.0 110.22 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.3 m -66.93 -38.29 85.91 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.353 -0.842 . . . . 0.0 110.055 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.1 t -62.39 -38.59 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.411 -0.805 . . . . 0.0 109.927 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.0 mtt -68.21 -34.56 76.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.406 -0.809 . . . . 0.0 109.861 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -66.61 -35.02 79.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.39 -0.819 . . . . 0.0 110.183 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.26 -34.62 48.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.837 . . . . 0.0 110.185 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.19 -24.29 67.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.307 -0.87 . . . . 0.0 110.221 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.98 32.0 1.63 Allowed Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.8 mt -121.01 -178.59 3.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.368 -1.077 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -168.89 68.66 0.7 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.284 -0.885 . . . . 0.0 110.182 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.63 137.52 27.7 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.756 1.398 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.83 165.79 4.99 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.33 -0.856 . . . . 0.0 110.11 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -56.25 -28.27 57.93 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.04 -41.46 74.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 0.0 110.012 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -35.17 77.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.36 -0.837 . . . . 0.0 110.093 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.6 -41.4 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.373 -0.829 . . . . 0.0 110.016 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -61.76 -40.07 93.85 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.351 -0.843 . . . . 0.0 110.054 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -62.78 -49.07 76.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.297 -0.877 . . . . 0.0 110.094 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.39 -38.98 93.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.357 -0.84 . . . . 0.0 110.044 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.5 mtt -69.15 -29.35 67.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.434 -0.791 . . . . 0.0 109.999 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -68.05 -42.16 80.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.429 -0.794 . . . . 0.0 110.084 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -70.27 -32.17 69.86 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.413 -0.804 . . . . 0.0 110.052 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.448 HD13 HD22 ' A' ' 32' ' ' LEU . 19.7 mt -86.32 -59.05 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.396 -0.815 . . . . 0.0 109.964 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t0 . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.315 -0.865 . . . . 0.0 110.178 -179.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.185 0.516 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.403 HD11 HD13 ' A' ' 55' ' ' ILE . 78.6 mt -85.18 135.82 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.375 -0.828 . . . . 0.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -96.25 160.2 14.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.36 -0.837 . . . . 0.0 110.011 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.828 ' CE2' HD11 ' A' ' 69' ' ' LEU . 15.8 t80 -57.72 -36.65 72.3 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.895 . . . . 0.0 110.279 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -62.78 -53.06 60.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.346 -0.846 . . . . 0.0 110.097 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.53 -29.81 70.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.413 -0.804 . . . . 0.0 110.046 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -69.22 -49.51 55.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.406 -0.809 . . . . 0.0 110.086 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.828 HD11 ' CE2' ' A' ' 65' ' ' PHE . 44.9 mt -60.26 -32.2 70.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.282 -0.886 . . . . 0.0 110.057 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.14 -49.75 47.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.402 -0.811 . . . . 0.0 110.055 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.57 -36.74 79.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.324 -0.86 . . . . 0.0 110.104 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.457 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 92.5 mmm -69.05 -42.16 76.68 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.452 -0.78 . . . . 0.0 109.927 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.376 -0.828 . . . . 0.0 109.935 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.115 0.483 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.07 -33.41 64.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.384 -0.822 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -44.53 95.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.402 -0.811 . . . . 0.0 110.019 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -46.96 83.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 110.142 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.15 -33.71 72.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.452 -0.78 . . . . 0.0 110.234 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -68.66 -49.06 62.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.36 -0.838 . . . . 0.0 110.105 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.69 -40.93 98.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.339 -0.851 . . . . 0.0 110.211 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.533 ' HB3' HD13 ' A' ' 137' ' ' ILE . 8.0 m-85 -63.97 -32.86 74.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.358 -0.839 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -67.71 -44.22 78.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.307 -0.87 . . . . 0.0 110.265 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.2 t -60.97 -40.74 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.272 -0.892 . . . . 0.0 110.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.406 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.1 m-85 -67.56 -27.34 66.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.294 -0.879 . . . . 0.0 110.159 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.46 142.86 42.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.399 -0.813 . . . . 0.0 110.239 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -108.88 41.17 1.65 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.32 -0.862 . . . . 0.0 110.259 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -158.3 -43.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.825 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.3 29.19 6.45 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.601 ' OD2' HD12 ' A' ' 99' ' ' LEU . 48.7 p-10 -113.61 -17.15 12.23 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.344 -1.091 . . . . 0.0 110.518 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.77 47.94 2.83 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.601 HD12 ' OD2' ' A' ' 97' ' ' ASP . 85.7 mt -139.02 110.54 7.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.388 -1.066 . . . . 0.0 110.13 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.9 pt -125.97 160.36 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.377 -0.827 . . . . 0.0 110.199 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -79.8 160.21 26.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.164 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.34 -36.13 60.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.34 -0.85 . . . . 0.0 110.401 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.88 77.73 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.284 -0.885 . . . . 0.0 110.105 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.9 mt-10 -62.71 -35.29 79.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.359 -0.838 . . . . 0.0 109.951 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.544 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -62.25 -39.87 94.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.462 -0.774 . . . . 0.0 110.037 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -70.96 -35.83 72.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.349 -0.844 . . . . 0.0 110.161 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.44 -29.09 65.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.385 -0.822 . . . . 0.0 110.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 104' ' ' GLU . 60.0 t -76.38 -41.82 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.296 -0.877 . . . . 0.0 109.95 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 105' ' ' LEU . 5.3 mt -63.74 -36.71 84.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.326 -0.859 . . . . 0.0 110.15 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.4 m -77.66 -28.8 51.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.373 -0.829 . . . . 0.0 110.192 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -74.39 -42.18 59.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.351 -0.843 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.495 HD11 HG12 ' A' ' 108' ' ' VAL . 61.5 mt -62.39 -27.0 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.398 -0.814 . . . . 0.0 110.158 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.29 33.07 23.94 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.33 164.86 25.98 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.364 -1.08 . . . . 0.0 110.16 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.09 62.26 1.27 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.386 -0.821 . . . . 0.0 110.2 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.443 HD11 HD22 ' A' ' 144' ' ' LEU . 33.9 mt -125.57 112.26 15.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.851 . . . . 0.0 110.197 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 78.1 p -62.98 -174.17 0.07 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.378 -0.827 . . . . 0.0 110.164 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -77.74 -30.28 51.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.318 -0.864 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.41 96.42 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.419 -0.801 . . . . 0.0 110.2 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -61.41 -49.36 77.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.348 -0.845 . . . . 0.0 110.218 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.527 HG12 HD12 ' A' ' 125' ' ' LEU . 79.3 t -62.13 -27.93 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.339 -0.851 . . . . 0.0 110.069 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.84 -43.41 83.75 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.356 -0.84 . . . . 0.0 110.013 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -32.52 72.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.422 -0.799 . . . . 0.0 110.082 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.493 ' O ' HG23 ' A' ' 128' ' ' VAL . 11.2 mtm -79.07 -26.68 43.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.342 -0.849 . . . . 0.0 110.26 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.527 HD12 HG12 ' A' ' 121' ' ' VAL . 3.6 mt -71.61 -44.88 63.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.279 -0.888 . . . . 0.0 110.198 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -65.22 -31.1 72.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.346 -0.846 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.86 -28.67 39.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 0.0 110.367 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.773 HG12 HG23 ' A' ' 135' ' ' ILE . 59.9 t -96.18 -54.71 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.336 -0.852 . . . . 0.0 110.194 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.0 t -63.47 140.16 58.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.295 -0.878 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -115.07 36.47 3.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.352 -0.842 . . . . 0.0 110.195 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.47 36.91 78.19 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.9 m -118.4 -35.57 3.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -1.055 . . . . 0.0 110.188 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.06 -38.01 3.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -94.73 135.85 35.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.413 -1.051 . . . . 0.0 110.213 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.773 HG23 HG12 ' A' ' 128' ' ' VAL . 87.3 mt -123.35 144.1 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.391 -0.818 . . . . 0.0 110.149 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -82.98 126.01 32.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.373 -0.83 . . . . 0.0 110.165 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.533 HD13 ' HB3' ' A' ' 89' ' ' PHE . 18.1 pt -63.95 -21.77 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.385 -0.822 . . . . 0.0 110.354 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -61.98 -46.7 88.12 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.308 -0.87 . . . . 0.0 110.19 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -61.82 -52.39 64.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.389 -0.819 . . . . 0.0 110.203 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.544 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.61 -39.75 94.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.355 -0.84 . . . . 0.0 110.055 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.8 -33.86 76.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.42 -0.8 . . . . 0.0 110.185 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.69 62.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.384 -0.822 . . . . 0.0 110.214 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.34 -36.44 76.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.338 -0.851 . . . . 0.0 110.145 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.443 HD22 HD11 ' A' ' 116' ' ' LEU . 84.3 mt -78.24 -28.05 47.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.198 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.187 -179.913 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.227 0.536 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.54 -32.76 72.84 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.326 -0.859 . . . . 0.0 110.242 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -64.66 -52.11 59.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 110.092 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 56.3 mt-30 -62.8 -42.08 99.56 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.32 -0.862 . . . . 0.0 110.13 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -66.88 -36.28 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.317 -0.864 . . . . 0.0 109.991 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.22 82.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.351 -0.843 . . . . 0.0 110.091 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -47.87 66.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.397 -0.814 . . . . 0.0 110.158 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 24.5 m-85 -62.74 -38.28 89.9 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.286 -0.884 . . . . 0.0 110.003 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 2.1 ttmt -61.68 -39.63 92.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.379 -0.825 . . . . 0.0 110.149 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.98 -52.25 60.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.286 -0.884 . . . . 0.0 110.151 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.568 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.89 -35.38 79.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 0.0 110.142 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.659 ' CE1' HG23 ' A' ' 27' ' ' ILE . 9.7 t80 -71.3 -39.54 71.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.797 . . . . 0.0 110.091 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.65 -29.38 69.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 110.118 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 15' ' ' ALA . 20.3 mt -62.15 -38.0 87.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.464 -0.773 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -101.72 24.39 9.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 0.0 110.343 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.1 t70 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 110.11 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.5 p -139.16 154.63 48.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -1.061 . . . . 0.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.659 HG23 ' CE1' ' A' ' 16' ' ' PHE . 40.8 pt -120.42 158.5 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.368 -0.833 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -80.76 158.96 25.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.383 -0.823 . . . . 0.0 110.269 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.39 -39.55 93.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.356 -0.84 . . . . 0.0 110.217 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.6 p -55.32 -27.2 45.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.364 -0.835 . . . . 0.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.849 ' O ' HG23 ' A' ' 35' ' ' VAL . 45.0 mt-10 -91.4 -15.65 28.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 110.44 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.3 tp -55.15 -55.9 25.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.224 -0.922 . . . . 0.0 110.492 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.84 76.38 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.353 -0.842 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 m -66.87 -40.6 87.88 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.432 -0.792 . . . . 0.0 109.917 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.2 t -58.33 -41.14 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.272 -0.892 . . . . 0.0 109.587 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mtt -69.78 -28.02 65.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.407 -0.808 . . . . 0.0 109.518 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 38' ' ' SER . 0.3 OUTLIER -65.96 -38.51 88.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.451 -0.781 . . . . 0.0 109.905 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 37' ' ' ARG . 15.3 m -80.15 -32.53 38.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.379 -0.825 . . . . 0.0 110.333 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.45 -26.07 68.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.413 -0.804 . . . . 0.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.06 32.65 2.16 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 mt -116.11 176.23 5.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -1.084 . . . . 0.0 110.177 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -166.34 68.79 1.09 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.406 -0.809 . . . . 0.0 110.078 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.64 137.41 27.48 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 O-C-N 123.77 1.405 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.2 m -62.09 171.06 1.9 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.401 -0.812 . . . . 0.0 110.082 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.0 -28.56 67.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.882 . . . . 0.0 110.133 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.51 -41.52 72.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 0.0 110.028 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.49 -38.62 87.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.457 -0.777 . . . . 0.0 110.142 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 44' ' ' SER . 60.7 t -66.33 -40.18 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.338 -0.851 . . . . 0.0 109.926 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -62.65 -38.32 89.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.4 -0.813 . . . . 0.0 110.144 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -63.28 -47.78 80.91 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.431 -0.793 . . . . 0.0 110.066 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.53 -41.66 96.23 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.386 -0.822 . . . . 0.0 110.078 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.0 mtt -69.25 -29.44 67.36 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.453 -0.779 . . . . 0.0 110.057 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.68 -38.09 80.08 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.115 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.86 -29.14 39.97 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.294 -0.879 . . . . 0.0 110.056 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.49 HD11 HD13 ' A' ' 71' ' ' LEU . 30.1 mt -89.29 -63.6 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.407 -0.808 . . . . 0.0 109.962 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.8 t0 . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.38 -0.825 . . . . 0.0 110.341 -179.839 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.165 0.507 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.1 mt -80.18 128.8 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.326 -0.858 . . . . 0.0 110.23 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.49 160.21 16.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.38 -0.825 . . . . 0.0 109.996 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.686 ' CE2' HD11 ' A' ' 69' ' ' LEU . 15.4 t80 -59.07 -30.36 68.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.297 -0.877 . . . . 0.0 110.3 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t -67.34 -54.36 21.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 110.134 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -63.14 -33.91 76.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.384 -0.823 . . . . 0.0 110.125 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.49 -49.71 72.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.133 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.686 HD11 ' CE2' ' A' ' 65' ' ' PHE . 44.3 mt -60.6 -33.02 72.12 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.417 -0.802 . . . . 0.0 110.242 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.72 -48.09 49.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.404 -0.81 . . . . 0.0 110.129 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.49 HD13 HD11 ' A' ' 55' ' ' ILE . 30.8 mt -62.13 -41.05 97.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.409 -0.807 . . . . 0.0 110.036 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.8 mmm -65.79 -34.47 78.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.438 -0.789 . . . . 0.0 110.091 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.419 -0.801 . . . . 0.0 110.014 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.159 0.504 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -58.05 -33.06 68.61 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -0.798 . . . . 0.0 110.223 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.95 -43.02 80.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.132 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.417 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -63.87 -42.65 97.47 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.407 -0.808 . . . . 0.0 110.066 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.29 -33.6 74.96 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.391 -0.818 . . . . 0.0 109.988 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -49.24 71.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.446 -0.784 . . . . 0.0 110.199 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.09 99.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.39 -0.819 . . . . 0.0 110.173 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HB3' HD13 ' A' ' 137' ' ' ILE . 11.4 m-85 -64.32 -33.76 76.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.315 -0.866 . . . . 0.0 110.109 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -43.3 95.35 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.308 -0.87 . . . . 0.0 109.965 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.8 t -64.15 -37.93 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.431 -0.793 . . . . 0.0 110.002 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -79.97 -14.91 58.23 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.392 -0.817 . . . . 0.0 110.484 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -57.33 129.92 43.96 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.247 -0.908 . . . . 0.0 110.369 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -109.12 26.23 10.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.294 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -134.32 -59.85 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.337 -0.852 . . . . 0.0 110.106 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.89 -28.76 1.14 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -99.74 -38.45 8.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.415 -1.05 . . . . 0.0 110.323 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.74 67.0 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.6 mt -131.93 108.33 9.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.324 -1.103 . . . . 0.0 110.108 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.5 pt -128.62 160.16 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.33 -0.856 . . . . 0.0 110.184 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.1 t -79.89 160.18 26.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.367 -0.833 . . . . 0.0 110.119 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.72 -26.7 14.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.302 -0.874 . . . . 0.0 110.569 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -50.78 60.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.721 ' O ' HG23 ' A' ' 108' ' ' VAL . 21.5 mt-10 -65.61 -33.33 75.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 110.052 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.793 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.2 tp -68.86 -32.67 72.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.0 110.172 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -73.23 -42.2 62.87 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 110.166 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -66.44 -29.29 69.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.427 -0.796 . . . . 0.0 110.215 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.6 t -79.19 -43.43 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.328 -0.857 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 112' ' ' ILE . 39.4 mt -62.01 -29.89 70.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.35 -0.844 . . . . 0.0 110.183 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.8 m -79.2 -29.37 42.84 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.332 -0.855 . . . . 0.0 110.133 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 m -77.48 -37.48 51.17 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.35 -0.844 . . . . 0.0 110.144 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 109' ' ' LEU . 62.7 mt -61.05 -27.1 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.36 -0.837 . . . . 0.0 110.174 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.62 28.87 25.65 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.79 -12.56 61.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.345 -1.091 . . . . 0.0 110.349 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 tttt 54.94 47.47 22.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.194 -0.941 . . . . 0.0 110.402 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt -99.66 115.51 29.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.397 -0.814 . . . . 0.0 110.227 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -61.21 162.81 7.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 110.163 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.36 -33.35 73.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.289 -0.882 . . . . 0.0 110.203 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.24 86.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.317 -0.864 . . . . 0.0 110.177 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.44 -52.33 47.46 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.405 -0.81 . . . . 0.0 110.108 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 125' ' ' LEU . 57.4 t -61.45 -29.23 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.359 -0.838 . . . . 0.0 109.95 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -65.93 -43.23 88.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.382 -0.824 . . . . 0.0 109.956 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.2 -31.84 69.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.345 -0.847 . . . . 0.0 110.067 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.448 ' HG2' HD13 ' A' ' 143' ' ' LEU . 1.1 ttp -79.98 -29.69 39.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.44 -0.787 . . . . 0.0 110.144 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 125' ' ' LEU . 12.8 mt -72.82 -33.52 66.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.338 -0.851 . . . . 0.0 110.235 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -66.24 -37.34 85.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -0.842 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -80.2 -29.82 38.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.343 -0.848 . . . . 0.0 110.324 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.588 HG12 HG23 ' A' ' 135' ' ' ILE . 62.6 t -90.4 -57.61 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.401 -0.812 . . . . 0.0 110.23 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 t -59.98 142.62 53.52 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.346 -0.847 . . . . 0.0 110.236 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -115.26 -44.41 3.0 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.95 -24.08 0.71 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.1 m -56.66 -27.33 58.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.298 -1.119 . . . . 0.0 110.458 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.33 31.12 6.63 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -154.32 129.35 9.55 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.382 -1.069 . . . . 0.0 110.173 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.588 HG23 HG12 ' A' ' 128' ' ' VAL . 86.1 mt -112.84 147.36 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.09 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -93.91 122.48 36.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.437 -0.789 . . . . 0.0 110.188 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 89' ' ' PHE . 1.3 pp -61.18 -21.43 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.327 -0.858 . . . . 0.0 110.362 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -60.15 -54.66 43.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.33 -0.856 . . . . 0.0 110.179 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.75 -36.04 82.56 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.84 . . . . 0.0 110.142 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.793 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -70.47 -40.09 73.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.387 -0.82 . . . . 0.0 109.998 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.63 -33.34 75.4 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.341 -0.849 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.53 -32.18 42.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.324 -0.86 . . . . 0.0 110.142 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.448 HD13 ' HG2' ' A' ' 124' ' ' MET . 2.5 mt -65.38 -35.33 80.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.328 -0.858 . . . . 0.0 110.231 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.416 HD11 HD21 ' A' ' 109' ' ' LEU . 90.2 mt -79.37 -30.92 42.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.287 -0.883 . . . . 0.0 110.229 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.321 -0.862 . . . . 0.0 110.254 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.222 0.534 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.01 -37.55 85.3 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.357 -0.839 . . . . 0.0 110.19 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.34 -43.34 91.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.377 -0.827 . . . . 0.0 110.056 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 25.4 mm-40 -67.56 -45.02 76.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.43 -0.794 . . . . 0.0 110.132 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.9 mt -65.64 -28.51 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.323 -0.86 . . . . 0.0 109.948 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.27 -37.04 71.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.28 -0.888 . . . . 0.0 110.076 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -66.78 -47.69 71.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.321 -0.862 . . . . 0.0 110.097 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 26.3 m-85 -61.82 -39.14 90.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.311 -0.868 . . . . 0.0 110.054 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -60.25 -40.45 90.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 0.0 110.146 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.11 -53.61 53.0 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.117 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.28 -30.51 70.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.38 -0.825 . . . . 0.0 110.151 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.673 ' CE1' HG23 ' A' ' 27' ' ' ILE . 14.2 t80 -74.25 -39.6 62.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.353 -0.842 . . . . 0.0 110.273 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.95 66.58 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.33 -0.856 . . . . 0.0 110.147 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 15' ' ' ALA . 33.1 mt -63.66 -39.72 95.04 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.371 -0.831 . . . . 0.0 110.283 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CZ ' HG22 ' A' ' 34' ' ' THR . 92.9 m-85 -102.23 25.43 8.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.332 -0.855 . . . . 0.0 110.131 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.336 -0.852 . . . . 0.0 110.163 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -157.76 142.6 16.58 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.402 -1.057 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.673 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.5 pt -120.51 157.24 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.376 -0.828 . . . . 0.0 110.256 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.09 159.07 22.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.425 -0.797 . . . . 0.0 110.193 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -60.84 -27.5 68.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -0.805 . . . . 0.0 110.13 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 p -63.54 -30.41 71.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.361 -0.837 . . . . 0.0 110.185 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.822 ' O ' HG23 ' A' ' 35' ' ' VAL . 44.8 mt-10 -94.02 -14.83 25.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 0.0 110.51 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.535 HD22 ' CD1' ' A' ' 63' ' ' ILE . 65.5 tp -53.26 -57.87 9.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.207 -0.933 . . . . 0.0 110.459 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.805 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -58.03 -35.92 71.99 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.265 -0.897 . . . . 0.0 110.218 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.492 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 40.9 m -67.57 -36.02 80.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.315 -0.866 . . . . 0.0 110.034 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.1 t -62.3 -44.93 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.439 -0.788 . . . . 0.0 109.805 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.5 mtt -64.01 -34.96 79.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.44 -0.787 . . . . 0.0 109.9 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -61.31 -40.55 94.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.395 -0.816 . . . . 0.0 110.053 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 m -75.97 -33.84 59.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.415 -0.803 . . . . 0.0 110.078 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.52 HD13 ' CE ' ' A' ' 72' ' ' MET . 16.9 mt -61.9 -23.31 66.24 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.394 -0.817 . . . . 0.0 110.224 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.48 34.91 0.68 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.5 mt -127.53 178.11 6.31 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.257 -1.143 . . . . 0.0 110.117 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 t -167.35 67.19 0.86 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.391 -0.818 . . . . 0.0 110.207 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HB2' ' CB ' ' A' ' 47' ' ' GLU . 47.4 Cg_endo -75.22 137.33 21.1 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 O-C-N 123.725 1.382 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.3 173.46 1.17 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.45 -0.781 . . . . 0.0 110.013 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.04 -28.73 66.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -0.861 . . . . 0.0 110.191 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.4 -43.35 77.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.453 -0.779 . . . . 0.0 109.983 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' CB ' ' HB2' ' A' ' 43' ' ' PRO . 5.5 mm-40 -64.8 -42.04 95.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -0.839 . . . . 0.0 109.989 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.805 HG13 ' HB2' ' A' ' 33' ' ' ALA . 67.0 t -60.89 -39.15 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.345 -0.847 . . . . 0.0 109.867 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -62.47 -40.72 97.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.421 -0.799 . . . . 0.0 109.908 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.17 -47.01 88.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.392 -0.817 . . . . 0.0 110.044 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 55' ' ' ILE . 5.9 mt -60.77 -46.48 90.3 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.434 -0.791 . . . . 0.0 109.884 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 mtt -66.17 -28.65 68.93 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -0.839 . . . . 0.0 109.84 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -65.55 -37.6 87.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.311 -0.868 . . . . 0.0 109.714 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -74.14 -38.28 63.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.452 -0.78 . . . . 0.0 109.896 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.796 HD12 ' O ' ' A' ' 51' ' ' LEU . 2.1 mt -82.15 -63.79 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.404 -0.81 . . . . 0.0 109.858 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.382 -0.824 . . . . 0.0 110.236 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.14 0.495 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.535 ' CD1' HD22 ' A' ' 32' ' ' LEU . 80.7 mt -104.01 121.83 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.369 -0.832 . . . . 0.0 110.169 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -89.25 160.21 17.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.381 -0.824 . . . . 0.0 110.133 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.705 ' CE2' HD11 ' A' ' 69' ' ' LEU . 18.7 t80 -56.43 -30.48 62.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.297 -0.877 . . . . 0.0 110.267 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -64.9 -60.01 3.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.824 . . . . 0.0 110.1 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.18 -33.14 73.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.397 -0.815 . . . . 0.0 110.084 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.463 ' CZ ' HG11 ' A' ' 35' ' ' VAL . 75.3 t80 -63.25 -47.65 81.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.085 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.705 HD11 ' CE2' ' A' ' 65' ' ' PHE . 36.9 mt -59.53 -42.45 92.35 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.319 -0.863 . . . . 0.0 110.12 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.33 86.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.286 -0.884 . . . . 0.0 110.054 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.1 -32.84 73.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.093 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.52 ' CE ' HD13 ' A' ' 39' ' ' LEU . 90.6 mmm -72.68 -35.93 67.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.336 -0.852 . . . . 0.0 110.026 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.493 1.675 0 O-C-N 121.455 -0.778 . . . . 0.0 110.182 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 121.12 0.486 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -55.66 -40.21 71.94 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.381 -0.824 . . . . 0.0 110.397 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.16 -44.45 92.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.263 -0.898 . . . . 0.0 110.137 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.449 HD22 ' HE2' ' A' ' 89' ' ' PHE . 1.3 mt -63.01 -41.56 99.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.352 -0.843 . . . . 0.0 110.211 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.0 mt -62.28 -32.89 73.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.463 -0.773 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -67.87 -47.05 69.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.31 -0.869 . . . . 0.0 110.225 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.76 90.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.351 -0.843 . . . . 0.0 110.215 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 137' ' ' ILE . 12.9 m-85 -62.56 -35.45 79.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.39 -0.819 . . . . 0.0 110.211 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -63.56 -44.34 94.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.393 -0.817 . . . . 0.0 110.173 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.83 -38.83 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.396 -0.815 . . . . 0.0 110.051 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.453 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.7 m-85 -73.54 -26.59 60.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.319 -0.863 . . . . 0.0 110.251 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -61.07 133.94 56.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.263 -0.898 . . . . 0.0 110.229 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -103.11 -31.87 9.95 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.348 -0.845 . . . . 0.0 110.168 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -33.79 70.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.292 -0.88 . . . . 0.0 110.234 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.49 -30.05 7.83 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -77.76 -67.36 0.73 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.361 -1.082 . . . . 0.0 110.187 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.58 55.82 0.01 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 mt -130.43 108.59 10.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.412 -1.052 . . . . 0.0 110.22 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.98 160.23 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.339 -0.851 . . . . 0.0 110.235 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -79.72 160.24 26.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.442 -0.786 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.82 -34.87 60.57 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.283 -0.886 . . . . 0.0 110.46 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.12 -52.53 64.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.41 -0.806 . . . . 0.0 110.181 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 108' ' ' VAL . 30.6 mt-10 -62.76 -30.08 71.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.243 -0.91 . . . . 0.0 110.035 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.71 HD21 ' CE2' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -69.42 -42.37 75.12 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.391 -0.818 . . . . 0.0 110.157 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -65.2 -42.35 93.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.41 -0.806 . . . . 0.0 110.085 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -61.81 -36.25 80.58 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.346 -0.847 . . . . 0.0 110.087 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 104' ' ' GLU . 73.6 t -71.2 -36.66 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.385 -0.822 . . . . 0.0 110.075 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 105' ' ' LEU . 1.8 mp -66.9 -29.27 69.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.438 -0.789 . . . . 0.0 110.26 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 m -78.54 -34.79 46.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.431 -0.793 . . . . 0.0 110.262 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 t -69.11 -40.92 78.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.313 -0.867 . . . . 0.0 110.223 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.78 -27.25 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.409 -0.807 . . . . 0.0 110.11 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.35 33.6 25.26 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -74.78 146.33 42.19 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.327 -1.101 . . . . 0.0 110.115 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.81 63.81 7.0 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.393 -0.817 . . . . 0.0 110.298 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.505 HD11 HD22 ' A' ' 144' ' ' LEU . 33.1 mt -109.88 114.75 28.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.848 . . . . 0.0 110.173 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -62.17 159.97 13.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.363 -0.836 . . . . 0.0 110.227 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.16 -28.3 69.03 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.395 -0.815 . . . . 0.0 110.131 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.88 -32.86 73.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.419 -0.801 . . . . 0.0 110.144 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.26 -50.16 49.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.28 -0.887 . . . . 0.0 110.119 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.71 -29.75 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.321 -0.862 . . . . 0.0 109.954 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -73.86 -51.47 16.13 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.402 -0.811 . . . . 0.0 109.96 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -64.56 -31.64 72.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.825 . . . . 0.0 110.018 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 14.5 mtp -69.51 -36.46 76.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 110.05 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.74 -42.11 86.75 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.375 -0.828 . . . . 0.0 110.142 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -60.44 -32.47 71.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.331 -0.856 . . . . 0.0 110.264 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -80.27 -44.04 20.32 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.317 -0.864 . . . . 0.0 110.314 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.597 ' CG1' HG23 ' A' ' 135' ' ' ILE . 57.4 t -80.71 -56.84 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.265 -0.897 . . . . 0.0 110.367 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.3 t -56.32 122.14 11.16 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.327 -0.858 . . . . 0.0 110.368 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -169.96 -37.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.407 -0.808 . . . . 0.0 110.333 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.7 -81.8 0.07 OUTLIER Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.8 p -124.89 -58.4 1.48 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.362 -1.081 . . . . 0.0 110.351 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.59 -36.89 0.05 OUTLIER Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -79.62 133.9 36.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.279 -1.13 . . . . 0.0 110.207 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.597 HG23 ' CG1' ' A' ' 128' ' ' VAL . 47.4 mt -107.95 141.31 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.364 -0.835 . . . . 0.0 110.218 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -83.34 149.68 26.59 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.355 -0.841 . . . . 0.0 110.08 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.54 HD13 ' HB3' ' A' ' 89' ' ' PHE . 4.1 pt -70.01 -18.86 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.353 -0.842 . . . . 0.0 110.605 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.01 -47.44 84.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.902 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -64.2 -51.81 61.92 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.317 -0.865 . . . . 0.0 110.123 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.71 ' CE2' HD21 ' A' ' 105' ' ' LEU . 1.2 m-85 -63.7 -32.58 74.11 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.323 -0.861 . . . . 0.0 110.109 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.53 70.11 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.397 -0.814 . . . . 0.0 110.163 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.36 -39.23 48.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.358 -0.839 . . . . 0.0 110.096 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.85 -36.43 83.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.388 -0.82 . . . . 0.0 110.226 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.505 HD22 HD11 ' A' ' 116' ' ' LEU . 89.0 mt -78.61 -16.05 57.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.858 . . . . 0.0 110.436 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.251 -0.905 . . . . 0.0 110.41 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.44 ' O ' HD12 ' A' ' 9' ' ' ILE . 64.5 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.257 0.551 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -61.87 -38.6 88.89 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.286 -0.884 . . . . 0.0 110.195 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -62.84 -47.61 82.63 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.304 -0.873 . . . . 0.0 110.082 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.2 mt-30 -63.91 -44.73 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.833 . . . . 0.0 110.057 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 5' ' ' THR . 40.7 mt -62.5 -28.12 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.368 -0.833 . . . . 0.0 109.959 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.48 -40.87 69.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.333 -0.854 . . . . 0.0 110.062 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -65.05 -47.98 75.43 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.073 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 22.9 m-85 -59.9 -40.03 87.41 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.34 -0.85 . . . . 0.0 110.026 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 8.6 ttmt -61.6 -39.52 91.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.481 -0.762 . . . . 0.0 110.203 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -60.72 -56.74 17.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 110.172 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.21 71.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.405 -0.81 . . . . 0.0 110.09 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -69.45 -47.82 62.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.293 -0.879 . . . . 0.0 110.162 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.1 -28.86 69.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.374 -0.829 . . . . 0.0 110.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mt -61.43 -29.45 69.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.394 -0.816 . . . . 0.0 110.205 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.474 ' CD1' HG22 ' A' ' 35' ' ' VAL . 77.8 m-85 -110.64 30.03 7.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.231 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.301 -0.874 . . . . 0.0 110.015 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -144.62 137.21 26.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.349 -1.089 . . . . 0.0 110.291 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.8 pt -125.22 157.99 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.377 -0.827 . . . . 0.0 110.222 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 m -79.97 158.25 26.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 0.0 110.199 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -62.22 -32.14 72.77 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.335 -0.853 . . . . 0.0 110.216 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -62.3 -31.19 71.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.398 -0.813 . . . . 0.0 110.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.7 mt-10 -83.39 -20.26 34.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.397 -0.814 . . . . 0.0 110.29 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.525 HD11 ' CE ' ' A' ' 36' ' ' MET . 69.3 tp -53.59 -50.98 64.46 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.279 -0.888 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.63 89.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.265 -0.897 . . . . 0.0 110.067 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 m -68.67 -39.07 80.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.361 -0.837 . . . . 0.0 109.916 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 31' ' ' GLU . 83.4 t -62.78 -38.13 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.417 -0.802 . . . . 0.0 109.908 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.525 ' CE ' HD11 ' A' ' 32' ' ' LEU . 67.2 mtt -71.31 -30.18 65.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.352 -0.842 . . . . 0.0 109.878 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -67.5 -36.74 81.66 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.378 -0.826 . . . . 0.0 110.027 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.2 m -80.15 -32.86 38.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.838 . . . . 0.0 110.146 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.46 -24.94 67.72 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.34 -0.85 . . . . 0.0 110.272 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.91 33.43 1.53 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.2 mt -120.45 179.25 4.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.377 -1.072 . . . . 0.0 110.227 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 p -167.72 68.21 0.85 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.826 . . . . 0.0 110.169 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.92 137.3 24.13 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 O-C-N 123.742 1.391 . . . . 0.0 110.462 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.57 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -65.07 176.05 1.39 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.375 -0.828 . . . . 0.0 110.076 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.57 -28.94 69.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.403 -0.81 . . . . 0.0 110.173 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.53 74.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.362 -0.836 . . . . 0.0 110.005 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -68.76 -34.58 75.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.45 -0.781 . . . . 0.0 109.955 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 44' ' ' SER . 60.7 t -69.61 -40.52 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.789 . . . . 0.0 109.873 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.96 -36.78 85.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.444 -0.785 . . . . 0.0 109.962 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -63.87 -48.75 75.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.328 -0.857 . . . . 0.0 109.976 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.816 ' O ' HD12 ' A' ' 55' ' ' ILE . 5.0 mp -65.06 -43.94 90.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 mtt -68.95 -26.61 65.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 0.0 109.969 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -69.37 -37.93 77.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.334 -0.854 . . . . 0.0 109.971 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -76.97 -28.29 55.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.395 -0.815 . . . . 0.0 110.09 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.816 HD12 ' O ' ' A' ' 51' ' ' LEU . 3.9 mt -94.02 -62.49 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.376 -0.827 . . . . 0.0 110.006 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.359 -0.838 . . . . 0.0 110.22 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.215 0.531 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.451 HD11 HG21 ' A' ' 55' ' ' ILE . 98.0 mt -91.26 122.23 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.422 -0.799 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.77 160.15 20.31 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.37 -0.831 . . . . 0.0 109.849 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.3 t80 -56.76 -34.34 67.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.25 -0.906 . . . . 0.0 110.315 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 p -61.82 -57.76 10.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.334 -0.854 . . . . 0.0 110.015 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.83 -31.61 72.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 109.934 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -63.1 -48.58 77.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.43 -0.793 . . . . 0.0 109.993 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' A' ' 65' ' ' PHE . 40.2 mt -60.08 -38.65 83.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.33 -0.856 . . . . 0.0 109.884 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.99 89.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.43 -0.794 . . . . 0.0 109.76 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.595 ' CD1' HD11 ' A' ' 55' ' ' ILE . 1.1 mt -62.91 -45.96 90.05 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.357 -0.84 . . . . 0.0 109.919 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.1 mmm -62.25 -33.49 74.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 0.0 109.609 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.349 -0.845 . . . . 0.0 109.763 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.121 0.486 . . . . 0.0 110.369 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.404 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 30.1 mt-30 -70.35 -40.79 73.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.317 -0.865 . . . . 0.0 110.027 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -60.07 -40.28 88.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.352 -0.843 . . . . 0.0 109.989 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.26 -51.42 66.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.387 -0.821 . . . . 0.0 109.814 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 82' ' ' GLU . 4.5 mt -65.26 -29.79 70.6 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.366 -0.834 . . . . 0.0 109.807 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 91' ' ' VAL . 15.0 tm-20 -76.53 -43.14 40.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.451 -0.78 . . . . 0.0 110.108 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.41 -48.33 75.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.333 -0.854 . . . . 0.0 110.213 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.591 ' CE1' HD12 ' A' ' 105' ' ' LEU . 16.4 m-85 -62.74 -37.83 88.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.162 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -61.77 -43.37 98.98 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.333 -0.854 . . . . 0.0 110.076 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 87' ' ' GLU . 61.6 t -65.3 -35.9 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.38 -0.825 . . . . 0.0 109.966 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.471 ' CE2' HG22 ' A' ' 108' ' ' VAL . 8.2 m-85 -74.45 -35.74 63.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.109 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' ASN . 24.7 t0 -62.52 -27.54 69.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.404 -0.81 . . . . 0.0 110.217 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.15 -65.36 0.19 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.55 -0.719 . . . . 0.0 110.526 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' ASP . 3.2 m-80 -54.19 -55.2 30.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.291 -0.881 . . . . 0.0 110.433 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.46 -21.51 5.69 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.75 -62.9 1.38 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.295 -1.121 . . . . 0.0 110.392 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.85 56.99 0.11 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mt -142.64 125.18 15.75 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.366 -1.079 . . . . 0.0 110.222 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.8 pt -140.0 160.06 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -0.852 . . . . 0.0 110.368 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.98 160.35 25.94 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.329 -0.857 . . . . 0.0 110.137 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.74 -28.37 21.85 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.409 -0.807 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.13 -53.26 39.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.136 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.741 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.4 mt-10 -61.11 -38.04 84.91 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.365 -0.835 . . . . 0.0 110.071 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.733 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 5.1 tp -62.22 -36.9 83.38 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.407 -0.808 . . . . 0.0 110.065 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -71.32 -42.78 68.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.46 -0.775 . . . . 0.0 110.133 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -66.0 -28.29 68.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.253 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 104' ' ' GLU . 96.1 t -79.96 -45.66 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.335 -0.853 . . . . 0.0 110.173 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -60.14 -29.9 68.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.395 -0.815 . . . . 0.0 110.249 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.8 m -78.16 -32.53 50.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.0 m -77.02 -37.56 54.74 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.354 -0.841 . . . . 0.0 110.162 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.734 HD11 HG12 ' A' ' 108' ' ' VAL . 57.7 mt -62.0 -26.09 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.288 -0.882 . . . . 0.0 110.226 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.95 38.75 22.25 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.523 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -75.29 -6.36 49.43 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.401 -1.058 . . . . 0.0 110.542 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? 54.63 44.37 28.75 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.157 -0.965 . . . . 0.0 110.412 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 114' ' ' GLU . 16.0 mt -104.33 124.17 48.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.322 -0.861 . . . . 0.0 110.213 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.9 p -70.32 167.18 18.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 0.0 110.256 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.44 -27.63 69.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.384 -0.822 . . . . 0.0 110.149 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.77 -47.69 84.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.355 -0.841 . . . . 0.0 110.177 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.65 -48.16 80.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.425 -0.797 . . . . 0.0 110.084 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.409 HG12 HD12 ' A' ' 125' ' ' LEU . 61.9 t -62.78 -34.1 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 109.951 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -67.44 -45.25 76.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.369 -0.832 . . . . 0.0 110.032 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.72 -28.59 66.97 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.403 -0.81 . . . . 0.0 110.084 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 128' ' ' VAL . 7.9 mtp -79.7 -34.72 39.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.374 -0.829 . . . . 0.0 110.099 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.538 HD23 ' CD1' ' A' ' 135' ' ' ILE . 6.9 mt -66.19 -41.27 90.45 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.36 -0.837 . . . . 0.0 110.169 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -66.01 -38.09 87.55 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.327 -0.858 . . . . 0.0 110.25 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.95 -36.3 36.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.31 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.729 HG12 HG23 ' A' ' 135' ' ' ILE . 73.4 t -83.23 -60.3 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.32 -0.863 . . . . 0.0 110.112 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 t -61.23 117.77 6.02 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.368 -0.832 . . . . 0.0 110.278 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.25 30.23 1.14 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.391 -0.818 . . . . 0.0 110.126 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -128.25 -94.21 0.8 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -134.39 -71.8 0.49 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.377 -1.072 . . . . 0.0 110.173 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.94 30.29 1.51 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -137.3 132.98 34.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -1.038 . . . . 0.0 110.169 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.729 HG23 HG12 ' A' ' 128' ' ' VAL . 85.0 mt -122.22 152.53 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.399 -0.813 . . . . 0.0 110.124 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.95 123.46 31.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.421 -0.799 . . . . 0.0 110.126 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.442 HG21 ' HB3' ' A' ' 89' ' ' PHE . 1.1 pt -63.26 -21.17 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.347 -0.846 . . . . 0.0 110.398 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.58 -39.82 84.84 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.256 -0.903 . . . . 0.0 110.178 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.17 -42.85 79.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.88 . . . . 0.0 110.136 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.733 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -67.52 -33.86 75.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.38 -0.825 . . . . 0.0 110.066 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.9 -35.05 77.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.388 -0.82 . . . . 0.0 110.149 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.33 61.89 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.405 -0.809 . . . . 0.0 110.092 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.43 -37.79 74.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.806 . . . . 0.0 110.113 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.86 -64.3 1.22 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.315 -0.865 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.8 t . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.434 -0.791 . . . . 0.0 110.412 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.126 0.489 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.37 -36.21 81.57 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.852 . . . . 0.0 110.119 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.83 -46.01 80.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -66.57 -44.52 82.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.406 -0.809 . . . . 0.0 110.056 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.51 -29.8 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 109.84 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.62 75.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.375 -0.828 . . . . 0.0 109.853 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -65.18 -50.37 66.2 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.756 . . . . 0.0 109.983 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.07 -33.39 72.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.332 -0.855 . . . . 0.0 109.99 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.48 -44.54 96.15 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.356 -0.84 . . . . 0.0 110.017 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.57 -47.08 87.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.34 -0.85 . . . . 0.0 110.04 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -68.69 -36.49 78.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.349 -0.845 . . . . 0.0 109.94 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.884 ' CE1' HG23 ' A' ' 27' ' ' ILE . 4.6 t80 -67.28 -48.98 66.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.414 -0.804 . . . . 0.0 110.079 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -28.5 69.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.16 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 15' ' ' ALA . 12.4 mt -62.23 -26.79 68.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.388 -0.82 . . . . 0.0 110.246 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -116.18 33.16 5.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.352 -0.843 . . . . 0.0 110.217 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.384 -0.823 . . . . 0.0 109.922 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -134.82 141.08 46.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.352 -1.087 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.884 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -124.51 159.79 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.375 -0.828 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.1 m -83.89 160.15 21.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.858 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -60.22 -39.44 86.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.388 -0.82 . . . . 0.0 110.434 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -27.75 60.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.277 -0.889 . . . . 0.0 110.391 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 35' ' ' VAL . 26.9 mt-10 -91.59 -17.15 26.02 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.357 -0.84 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.542 HD22 HD13 ' A' ' 55' ' ' ILE . 67.8 tp -54.99 -58.69 6.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.202 -0.936 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.28 67.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.233 -0.917 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.8 m -70.23 -37.7 75.04 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.385 -0.822 . . . . 0.0 110.087 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 31' ' ' GLU . 84.2 t -61.22 -38.59 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 0.0 109.834 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.7 mtt -70.4 -36.64 74.18 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.334 -0.854 . . . . 0.0 109.801 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.1 mtp85 -65.69 -35.16 79.96 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.481 -0.762 . . . . 0.0 110.11 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.76 -33.44 40.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.46 -0.775 . . . . 0.0 110.259 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.49 -26.37 67.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.423 -0.798 . . . . 0.0 110.133 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.39 35.65 0.69 Allowed Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.0 mt -124.89 178.71 5.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.273 -1.134 . . . . 0.0 110.076 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -167.45 67.16 0.85 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.354 -0.841 . . . . 0.0 110.249 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.16 138.5 27.98 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.726 1.382 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.34 168.9 1.85 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.302 -0.874 . . . . 0.0 110.161 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.81 -28.45 67.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.238 -0.914 . . . . 0.0 110.177 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.26 76.61 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.375 -0.828 . . . . 0.0 110.064 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.13 -40.59 94.68 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.403 -0.81 . . . . 0.0 109.965 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.17 -39.65 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.339 -0.851 . . . . 0.0 110.005 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.02 -41.79 97.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.408 -0.808 . . . . 0.0 110.094 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -60.57 -49.59 76.94 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.382 -0.824 . . . . 0.0 110.122 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.18 -41.11 98.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.273 -0.892 . . . . 0.0 110.08 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.1 mtt -70.12 -28.02 65.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.414 -0.804 . . . . 0.0 109.991 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -68.68 -35.86 77.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.3 -0.875 . . . . 0.0 109.903 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -80.57 -28.62 37.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.36 -0.838 . . . . 0.0 109.953 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.542 HD13 HD22 ' A' ' 32' ' ' LEU . 28.8 mt -94.71 -65.0 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.376 -0.827 . . . . 0.0 109.983 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.424 -0.797 . . . . 0.0 110.271 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.202 0.525 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.453 ' CD1' HD22 ' A' ' 32' ' ' LEU . 77.9 mt -79.84 135.02 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.873 . . . . 0.0 110.114 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.11 160.04 15.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.371 -0.831 . . . . 0.0 110.144 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 69' ' ' LEU . 22.0 t80 -59.38 -26.46 65.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.39 -0.819 . . . . 0.0 110.375 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 t -72.49 -51.06 21.73 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.257 -0.902 . . . . 0.0 110.176 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 71' ' ' LEU . 7.6 mm-40 -67.07 -32.2 73.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.374 -0.829 . . . . 0.0 110.126 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.24 -48.96 71.44 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.302 -0.873 . . . . 0.0 110.12 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 65' ' ' PHE . 62.9 mt -60.16 -40.9 91.52 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.084 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.32 73.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.326 -0.859 . . . . 0.0 110.055 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 67' ' ' GLU . 27.4 mt -65.42 -34.63 78.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.369 -0.832 . . . . 0.0 109.972 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.0 mmm -66.88 -42.09 86.17 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.389 -0.82 . . . . 0.0 110.113 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.313 -0.867 . . . . 0.0 110.162 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.147 0.499 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -55.31 -41.91 73.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.342 -0.849 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.87 -36.44 80.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.364 -0.835 . . . . 0.0 109.796 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.433 HD22 ' HE2' ' A' ' 89' ' ' PHE . 2.4 mt -69.81 -44.7 69.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.451 -0.78 . . . . 0.0 109.823 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.67 -30.91 71.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 0.0 109.922 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.8 -50.1 63.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 109.877 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.87 89.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.399 -0.813 . . . . 0.0 109.993 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.675 ' HB3' HG21 ' A' ' 137' ' ' ILE . 10.8 m-85 -61.07 -36.12 78.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.428 -0.795 . . . . 0.0 109.994 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -61.94 -45.44 93.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.398 -0.814 . . . . 0.0 109.909 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.05 -32.58 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.395 -0.816 . . . . 0.0 109.878 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.19 -30.61 54.88 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.437 -0.789 . . . . 0.0 110.134 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 1.0 OUTLIER -63.69 -42.87 97.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.369 -0.832 . . . . 0.0 110.24 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 93' ' ' ASP . 11.7 tptt 67.6 -61.38 0.36 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.528 -0.733 . . . . 0.0 110.721 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -50.5 -33.05 19.97 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.174 -0.954 . . . . 0.0 110.705 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.31 -48.98 0.9 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -57.11 -175.58 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.229 -1.159 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -116.95 68.91 0.29 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mt -146.94 124.41 11.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -1.103 . . . . 0.0 110.203 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.6 pt -139.44 160.28 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.394 -0.816 . . . . 0.0 110.237 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.6 160.27 26.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.395 -0.816 . . . . 0.0 110.248 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.25 -30.33 27.21 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.357 -0.84 . . . . 0.0 110.485 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.15 -52.29 56.02 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.304 -0.873 . . . . 0.0 110.065 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.769 ' O ' HG23 ' A' ' 108' ' ' VAL . 16.7 mt-10 -63.47 -28.82 70.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 0.0 110.052 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.809 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -71.04 -42.32 69.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.342 -0.849 . . . . 0.0 110.17 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -39.38 93.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 0.0 110.181 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.65 -37.08 85.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.349 -0.845 . . . . 0.0 110.203 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 104' ' ' GLU . 75.2 t -68.64 -44.97 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.355 -0.841 . . . . 0.0 110.078 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -30.75 70.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.315 -0.865 . . . . 0.0 110.172 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -79.58 -29.68 41.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.327 -0.858 . . . . 0.0 110.16 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -75.82 -38.48 58.08 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.354 -0.842 . . . . 0.0 110.212 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.13 -25.23 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.392 -0.817 . . . . 0.0 110.137 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.58 28.54 47.09 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.26 150.2 46.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.388 -1.066 . . . . 0.0 110.184 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.36 64.33 6.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.325 -0.859 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.65 HD11 HD22 ' A' ' 144' ' ' LEU . 39.1 mt -123.22 132.67 54.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.332 -0.855 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 42.1 p -81.97 179.21 7.9 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.434 -0.791 . . . . 0.0 110.223 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -27.43 64.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.353 -0.842 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.77 77.76 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.373 -0.83 . . . . 0.0 110.177 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.61 -49.3 60.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.382 -0.824 . . . . 0.0 110.126 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.31 -31.03 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.359 -0.838 . . . . 0.0 110.129 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.31 -44.17 75.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.389 -0.819 . . . . 0.0 110.124 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -71.99 -35.16 69.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.415 -0.803 . . . . 0.0 110.116 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.1 ttp -72.52 -28.36 62.81 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.38 -0.825 . . . . 0.0 110.155 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.7 mt -73.72 -44.26 56.91 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.306 -0.871 . . . . 0.0 110.055 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -27.85 69.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.353 -0.842 . . . . 0.0 110.16 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.97 -24.86 40.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.332 -0.855 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.656 ' CG1' HG23 ' A' ' 135' ' ' ILE . 52.3 t -108.22 -63.27 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.292 -0.88 . . . . 0.0 110.189 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -157.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.381 -0.825 . . . . 0.0 110.281 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.0 t70 53.8 39.92 30.91 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.305 -0.872 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -134.44 -83.95 0.2 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.6 m -99.51 -41.88 7.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.302 -1.117 . . . . 0.0 110.241 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 158.92 -73.78 0.22 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -80.37 154.78 27.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.407 -1.055 . . . . 0.0 110.223 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.656 HG23 ' CG1' ' A' ' 128' ' ' VAL . 85.9 mt -104.26 146.31 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.447 -0.783 . . . . 0.0 110.243 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.34 132.43 34.95 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.36 -0.838 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.675 HG21 ' HB3' ' A' ' 89' ' ' PHE . 17.3 pt -69.27 -21.76 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -64.62 -42.23 95.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.292 -0.88 . . . . 0.0 110.152 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -70.26 -42.24 72.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 110.203 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.809 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -67.58 -45.66 74.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.3 -0.875 . . . . 0.0 110.03 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.92 -28.55 70.14 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.344 -0.848 . . . . 0.0 110.124 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.36 -29.19 53.22 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.338 -0.851 . . . . 0.0 110.161 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.43 -32.87 62.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.427 -0.796 . . . . 0.0 110.19 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.65 HD22 HD11 ' A' ' 116' ' ' LEU . 88.4 mt -79.79 -20.09 47.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.456 -0.777 . . . . 0.0 110.397 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.209 -0.932 . . . . 0.0 110.302 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.147 0.499 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -62.22 -38.27 88.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.372 -0.83 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -61.08 -51.38 69.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.403 -0.811 . . . . 0.0 110.067 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 14.3 mm100 -62.75 -46.1 89.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.414 -0.804 . . . . 0.0 110.136 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.63 -29.82 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.287 -0.883 . . . . 0.0 109.986 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.02 88.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.395 -0.816 . . . . 0.0 110.114 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.85 -48.56 78.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.419 -0.8 . . . . 0.0 110.212 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 26.7 m-85 -60.58 -40.97 93.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.397 -0.814 . . . . 0.0 110.191 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 15.0 ttmt -58.7 -37.24 75.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.309 -0.87 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.19 -55.27 19.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.372 -0.83 . . . . 0.0 110.084 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.452 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -64.92 -32.39 74.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.33 -0.856 . . . . 0.0 110.181 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.707 ' CE1' HG23 ' A' ' 27' ' ' ILE . 7.6 t80 -68.95 -51.29 41.22 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.368 -0.832 . . . . 0.0 110.187 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.54 67.32 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.415 -0.803 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 15' ' ' ALA . 12.4 mt -64.17 -25.38 68.05 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.454 -0.779 . . . . 0.0 110.428 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -116.5 32.17 6.29 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.221 -0.924 . . . . 0.0 110.44 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.287 -0.883 . . . . 0.0 110.184 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 m -141.27 141.25 33.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.34 -1.094 . . . . 0.0 110.197 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.707 HG23 ' CE1' ' A' ' 16' ' ' PHE . 45.0 pt -125.31 157.37 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.447 -0.783 . . . . 0.0 110.274 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 m -83.21 156.95 22.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -0.894 . . . . 0.0 110.172 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -60.63 -28.24 68.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.352 -0.842 . . . . 0.0 110.198 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.0 p -61.71 -29.14 69.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.438 -0.789 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.824 ' O ' HG23 ' A' ' 35' ' ' VAL . 19.6 mt-10 -94.72 -14.01 25.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.365 -0.834 . . . . 0.0 110.536 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 63' ' ' ILE . 54.0 tp -56.03 -44.55 78.87 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.234 -0.916 . . . . 0.0 110.455 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.685 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -61.46 -45.8 92.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.346 -0.846 . . . . 0.0 110.203 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.6 m -64.63 -36.17 83.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.378 -0.826 . . . . 0.0 110.019 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 31' ' ' GLU . 91.3 t -62.09 -39.42 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.38 -0.825 . . . . 0.0 109.908 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.3 mtt -69.76 -35.14 74.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.368 -0.832 . . . . 0.0 109.937 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -68.53 -40.31 80.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.426 -0.796 . . . . 0.0 110.214 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.5 m -68.22 -35.02 77.31 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.798 . . . . 0.0 110.163 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.521 HD13 ' HE1' ' A' ' 72' ' ' MET . 14.4 mt -65.04 -33.75 76.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.485 -0.76 . . . . 0.0 110.062 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.62 -9.94 2.9 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -78.78 178.99 7.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.247 -1.149 . . . . 0.0 110.106 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -167.9 58.27 0.4 Allowed Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.311 -0.868 . . . . 0.0 110.286 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.99 137.18 26.2 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 O-C-N 123.79 1.416 . . . . 0.0 110.368 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -60.5 171.04 1.19 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.352 -0.842 . . . . 0.0 110.15 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -29.61 67.6 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 110.216 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.89 85.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.418 -0.801 . . . . 0.0 110.04 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -65.34 -42.01 93.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.052 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.685 ' CG1' ' HB2' ' A' ' 33' ' ' ALA . 50.1 t -64.26 -37.17 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.411 -0.806 . . . . 0.0 109.98 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.09 -39.9 96.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.386 -0.821 . . . . 0.0 109.951 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -62.26 -50.63 70.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.371 -0.831 . . . . 0.0 110.05 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.64 -42.18 98.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.354 -0.841 . . . . 0.0 109.996 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.0 mtt -66.77 -41.9 86.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.372 -0.83 . . . . 0.0 110.061 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -60.72 -28.03 68.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.378 -0.826 . . . . 0.0 110.08 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -82.03 -27.92 32.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.344 -0.848 . . . . 0.0 109.888 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mt -84.24 -56.01 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.41 -0.806 . . . . 0.0 110.046 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 . . . . . 0 N--CA 1.495 1.775 0 O-C-N 121.244 -0.91 . . . . 0.0 110.56 -179.687 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.191 0.519 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.413 ' CD1' HD22 ' A' ' 32' ' ' LEU . 79.8 mt -79.7 132.94 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.305 -0.872 . . . . 0.0 110.1 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -94.41 160.14 14.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.456 -0.777 . . . . 0.0 110.123 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.8 t80 -57.73 -27.89 63.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.262 -0.899 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -69.91 -51.73 30.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.364 -0.835 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.87 -35.35 79.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.383 -0.823 . . . . 0.0 110.058 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -64.41 -46.27 84.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.363 -0.836 . . . . 0.0 110.155 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.776 HD11 ' CE2' ' A' ' 65' ' ' PHE . 54.1 mt -60.67 -40.79 93.44 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.401 -0.812 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.47 -43.13 73.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.304 -0.872 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.31 -33.85 76.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.361 -0.837 . . . . 0.0 110.187 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.521 ' HE1' HD13 ' A' ' 39' ' ' LEU . 77.8 mmm -71.68 -35.59 70.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.397 -0.814 . . . . 0.0 110.171 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 55.0 p . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.329 -0.857 . . . . 0.0 110.115 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.128 0.489 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.49 -30.36 68.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.378 -0.826 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -69.26 -41.18 77.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.824 . . . . 0.0 110.163 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.5 ' CD2' HD13 ' A' ' 112' ' ' ILE . 1.2 mt -67.54 -44.22 78.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.378 -0.826 . . . . 0.0 110.102 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.88 -27.15 68.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.437 -0.79 . . . . 0.0 110.217 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.696 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.6 OUTLIER -71.65 -43.15 66.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.369 -0.832 . . . . 0.0 110.186 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.68 -46.26 72.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.373 -0.829 . . . . 0.0 110.177 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.619 ' HB3' HD13 ' A' ' 137' ' ' ILE . 15.9 m-85 -63.1 -34.49 77.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.372 -0.83 . . . . 0.0 110.193 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -66.74 -38.94 87.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.346 -0.846 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 87' ' ' GLU . 59.7 t -65.97 -36.38 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.37 -0.831 . . . . 0.0 110.109 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -69.37 -30.28 68.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.337 -0.852 . . . . 0.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.6 141.75 40.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -106.74 -44.36 4.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.365 -0.834 . . . . 0.0 110.152 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -58.4 -41.36 84.73 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.343 -0.848 . . . . 0.0 110.19 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.82 -42.15 1.49 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.5 150.34 44.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.345 -1.091 . . . . 0.0 110.232 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.01 83.66 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 99' ' ' LEU . 14.1 mt -146.32 111.36 5.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.376 -1.073 . . . . 0.0 110.224 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.7 pt -139.11 160.3 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.304 -0.873 . . . . 0.0 110.225 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -79.74 160.17 26.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.229 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.58 -33.67 60.66 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.36 -0.838 . . . . 0.0 110.394 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.1 -53.25 58.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.258 -0.901 . . . . 0.0 110.115 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.737 ' O ' HG23 ' A' ' 108' ' ' VAL . 22.1 mt-10 -62.55 -28.83 70.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.361 -0.837 . . . . 0.0 109.971 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.67 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -70.25 -43.93 69.54 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.353 -0.842 . . . . 0.0 110.041 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.95 -40.51 91.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.359 -0.838 . . . . 0.0 110.081 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -62.27 -36.48 82.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.099 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 104' ' ' GLU . 92.9 t -71.77 -37.17 61.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.437 -0.789 . . . . 0.0 110.085 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 105' ' ' LEU . 4.3 mp -62.65 -35.21 78.88 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.362 -0.836 . . . . 0.0 110.257 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.0 m -75.0 -36.08 61.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -68.13 -40.75 82.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.364 -0.835 . . . . 0.0 110.125 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.562 HD11 HG12 ' A' ' 108' ' ' VAL . 63.8 mt -62.11 -26.18 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.317 -0.865 . . . . 0.0 110.136 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.33 30.92 26.49 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.65 130.16 39.02 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.362 -1.081 . . . . 0.0 110.156 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 64.25 4.68 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.384 -0.822 . . . . 0.0 110.264 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.4 mt -111.74 131.82 55.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.886 . . . . 0.0 110.25 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.8 p -73.14 -178.82 3.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.377 -0.827 . . . . 0.0 110.109 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.46 -33.34 54.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 0.0 110.133 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.37 83.72 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.308 -0.87 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.4 -52.09 63.06 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 110.121 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.401 HG12 HD12 ' A' ' 125' ' ' LEU . 89.4 t -61.23 -25.6 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.379 -0.825 . . . . 0.0 110.031 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.47 -49.22 23.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.344 -0.847 . . . . 0.0 110.03 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -69.07 -33.21 73.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.459 -0.776 . . . . 0.0 110.066 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.563 ' O ' HG23 ' A' ' 128' ' ' VAL . 2.7 ttp -75.63 -28.4 58.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.403 -0.811 . . . . 0.0 110.158 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.401 HD12 HG12 ' A' ' 121' ' ' VAL . 8.7 mt -72.57 -39.86 67.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.406 -0.809 . . . . 0.0 110.265 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -66.4 -33.01 74.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.368 -0.833 . . . . 0.0 110.237 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -80.0 -30.9 39.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.322 -0.862 . . . . 0.0 110.374 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 124' ' ' MET . 57.8 t -89.41 -35.65 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 110.152 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 t -75.02 64.51 1.34 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.2 -27.24 63.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.352 -0.843 . . . . 0.0 110.187 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -97.23 -114.29 3.18 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.66 -38.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -1.11 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -60.41 -100.71 0.01 OUTLIER Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -108.08 159.58 16.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.31 -1.111 . . . . 0.0 110.321 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.561 HG23 HG12 ' A' ' 128' ' ' VAL . 74.2 mt -101.41 155.29 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.358 -0.839 . . . . 0.0 110.158 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.02 122.56 35.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.436 -0.79 . . . . 0.0 110.095 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.619 HD13 ' HB3' ' A' ' 89' ' ' PHE . 8.7 pt -61.9 -20.48 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.362 -0.836 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -43.0 97.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.233 -0.917 . . . . 0.0 110.142 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -71.04 -43.71 67.3 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.318 -0.864 . . . . 0.0 110.04 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.67 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -67.27 -44.38 79.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.298 -0.876 . . . . 0.0 109.936 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.34 75.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.445 -0.785 . . . . 0.0 110.099 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.77 89.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.317 -0.864 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.502 HD13 ' CG ' ' A' ' 124' ' ' MET . 5.7 mt -68.03 -38.01 82.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.429 -0.795 . . . . 0.0 110.063 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.44 -25.17 45.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.437 -0.789 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.338 -0.851 . . . . 0.0 110.231 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.184 0.516 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 11.3 mt-10 -58.77 -35.43 72.77 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.212 -0.93 . . . . 0.0 110.234 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.54 -55.72 21.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 109.759 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -62.54 -42.16 99.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 109.946 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.94 -32.85 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 0.0 109.664 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -62.06 -36.75 82.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.459 -0.776 . . . . 0.0 109.741 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.59 -48.11 56.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.365 -0.834 . . . . 0.0 109.986 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.49 -41.12 96.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 0.0 109.924 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -59.99 -41.49 92.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.393 -0.817 . . . . 0.0 110.37 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.35 -55.43 33.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.346 -0.847 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -64.62 -30.66 71.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.308 -0.87 . . . . 0.0 110.204 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CE1' HG23 ' A' ' 27' ' ' ILE . 7.6 t80 -72.58 -38.14 67.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.354 -0.841 . . . . 0.0 110.225 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.18 -28.97 65.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.395 -0.816 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 15' ' ' ALA . 28.5 mt -61.76 -25.88 67.73 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.869 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -116.49 33.36 5.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.333 -0.854 . . . . 0.0 110.264 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.86 . . . . 0.0 110.42 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.21 132.46 12.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.367 -1.079 . . . . 0.0 109.976 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.582 HG23 ' CE1' ' A' ' 16' ' ' PHE . 45.0 pt -116.93 159.57 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.346 -0.846 . . . . 0.0 110.305 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -88.56 160.09 17.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.428 -0.795 . . . . 0.0 110.213 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.15 -37.23 76.8 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.371 -0.831 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -55.57 -27.0 46.66 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.391 -0.818 . . . . 0.0 110.333 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.808 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.4 mt-10 -98.6 -16.28 19.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.351 -0.843 . . . . 0.0 110.315 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' A' ' 63' ' ' ILE . 44.2 tp -57.56 -51.54 69.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.317 -0.865 . . . . 0.0 110.357 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.13 74.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.345 -0.847 . . . . 0.0 110.106 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.2 m -69.09 -36.74 77.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.342 -0.849 . . . . 0.0 110.082 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 31' ' ' GLU . 79.6 t -62.89 -37.53 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 0.0 109.949 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.2 mtt -69.89 -37.68 76.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.419 -0.801 . . . . 0.0 109.914 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -62.9 -37.55 87.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.374 -0.829 . . . . 0.0 110.13 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -78.16 -32.06 50.0 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.366 -0.834 . . . . 0.0 110.091 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.99 -22.78 64.98 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.379 -0.826 . . . . 0.0 110.184 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.54 34.52 0.92 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.0 mt -125.92 175.79 7.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.324 -1.104 . . . . 0.0 110.323 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -168.18 62.65 0.56 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.464 -0.772 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.62 139.73 31.56 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.811 1.427 . . . . 0.0 110.49 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 m -62.58 169.14 3.2 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.396 -0.815 . . . . 0.0 110.027 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -28.18 65.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.336 -0.853 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.35 76.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.044 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.02 -42.12 94.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.0 110.042 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.42 -39.23 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.389 -0.819 . . . . 0.0 109.966 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -61.27 -42.21 98.24 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.506 -0.746 . . . . 0.0 110.069 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.53 -49.33 78.21 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.444 -0.785 . . . . 0.0 110.207 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.97 -44.94 91.2 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.263 -0.898 . . . . 0.0 110.132 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.8 mtt -64.51 -28.82 69.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 110.057 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -68.19 -41.98 80.62 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.085 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.72 -30.73 68.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.157 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.631 HD11 HD13 ' A' ' 71' ' ' LEU . 11.8 mt -88.3 -55.61 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.1 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.444 -0.785 . . . . 0.0 110.337 -179.77 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.149 0.499 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.467 ' CD1' HD22 ' A' ' 32' ' ' LEU . 79.8 mt -90.18 121.2 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.37 -0.831 . . . . 0.0 110.129 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.86 160.2 18.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.392 -0.817 . . . . 0.0 110.02 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.6 t80 -56.06 -26.3 48.69 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.365 -0.835 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -71.66 -51.08 24.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.353 -0.842 . . . . 0.0 109.978 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.02 -35.6 80.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.386 -0.821 . . . . 0.0 110.017 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -62.12 -50.71 70.81 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.446 -0.784 . . . . 0.0 109.954 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 65' ' ' PHE . 55.4 mt -58.89 -37.09 75.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 110.054 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.81 -47.41 72.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.631 HD13 HD11 ' A' ' 55' ' ' ILE . 3.1 mt -61.88 -42.99 99.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.424 -0.798 . . . . 0.0 110.024 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.4 mmm -64.06 -41.14 97.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.39 -0.819 . . . . 0.0 109.98 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.372 -0.83 . . . . 0.0 110.195 179.774 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.22 0.533 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -27.09 61.81 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.414 -0.804 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.56 -45.38 75.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.304 -0.873 . . . . 0.0 110.077 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.457 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -64.38 -46.43 83.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.321 -0.862 . . . . 0.0 109.911 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.47 -31.11 71.65 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.37 -0.831 . . . . 0.0 110.094 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 91' ' ' VAL . 17.7 mm-40 -74.18 -42.88 59.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.383 -0.823 . . . . 0.0 110.095 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.28 99.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.349 -0.844 . . . . 0.0 110.063 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.615 ' HB3' HD13 ' A' ' 137' ' ' ILE . 12.4 m-85 -66.98 -37.47 84.3 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.365 -0.835 . . . . 0.0 110.045 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -65.31 -37.26 86.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.377 -0.827 . . . . 0.0 110.194 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 87' ' ' GLU . 79.5 t -65.0 -45.55 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.042 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.477 ' CE2' HG22 ' A' ' 108' ' ' VAL . 8.5 m-85 -60.84 -25.2 66.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.365 -0.834 . . . . 0.0 110.226 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.65 171.84 1.43 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.368 -0.833 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 -69.88 0.74 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.876 . . . . 0.0 110.218 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -84.17 -61.74 1.74 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.308 -0.87 . . . . 0.0 110.223 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.25 45.21 0.02 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.87 -31.34 6.14 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.335 -1.097 . . . . 0.0 110.137 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.66 64.5 0.56 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.6 mt -146.26 104.58 3.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -1.118 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.413 HD11 HD12 ' A' ' 105' ' ' LEU . 44.8 pt -129.42 159.02 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.373 -0.829 . . . . 0.0 110.23 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -79.93 160.18 26.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.382 -0.824 . . . . 0.0 110.194 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.03 -34.41 59.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.358 -0.838 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.13 87.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.047 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.75 ' O ' HG23 ' A' ' 108' ' ' VAL . 18.7 mt-10 -69.31 -31.06 69.29 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.342 -0.849 . . . . 0.0 109.904 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.607 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.7 OUTLIER -71.64 -37.38 70.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.387 -0.821 . . . . 0.0 110.072 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -70.04 -39.06 75.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.413 -0.804 . . . . 0.0 110.23 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -67.03 -35.49 80.0 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 0.0 110.24 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 104' ' ' GLU . 89.8 t -70.79 -40.11 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.315 -0.866 . . . . 0.0 110.131 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.82 -31.37 72.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.177 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.7 m -79.56 -35.92 39.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.382 -0.824 . . . . 0.0 110.268 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.68 -40.24 84.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.382 -0.824 . . . . 0.0 110.168 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.478 HD11 HG12 ' A' ' 108' ' ' VAL . 55.4 mt -61.68 -28.58 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.311 -0.868 . . . . 0.0 110.147 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.9 37.56 25.53 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -12.08 61.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.426 -1.044 . . . . 0.0 110.458 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.07 46.25 22.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.224 -0.922 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.796 HD11 HD22 ' A' ' 144' ' ' LEU . 13.8 mt -97.52 127.77 43.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.479 -0.763 . . . . 0.0 110.064 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.7 p -60.91 157.93 14.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -0.854 . . . . 0.0 110.187 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.97 -27.88 68.59 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.301 -0.874 . . . . 0.0 110.18 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.99 -29.83 69.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.469 -0.77 . . . . 0.0 110.175 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.36 -51.42 20.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.356 -0.84 . . . . 0.0 110.093 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.78 -28.85 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.453 -0.779 . . . . 0.0 109.879 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.42 -40.07 77.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.46 -0.775 . . . . 0.0 110.037 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -73.4 -29.12 62.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.387 -0.82 . . . . 0.0 110.088 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.544 ' O ' HG23 ' A' ' 128' ' ' VAL . 3.8 mtm -78.04 -38.77 43.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.426 -0.796 . . . . 0.0 110.1 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.523 HD21 HD22 ' A' ' 105' ' ' LEU . 20.4 mt -66.08 -41.4 90.75 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.368 -0.833 . . . . 0.0 110.124 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -32.9 67.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.487 -0.758 . . . . 0.0 110.162 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -79.51 -38.14 35.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 0.0 110.182 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 124' ' ' MET . 67.0 t -81.08 -55.45 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.4 -0.813 . . . . 0.0 110.033 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 t -66.26 147.71 52.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.358 -0.839 . . . . 0.0 110.186 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -132.77 31.18 3.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.339 -0.851 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.47 46.23 5.57 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.7 t -121.7 -51.46 2.04 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.382 -1.07 . . . . 0.0 110.209 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 128.19 -41.47 1.57 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -104.86 153.81 20.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.386 -1.067 . . . . 0.0 110.176 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.543 HG23 HG12 ' A' ' 128' ' ' VAL . 88.8 mt -133.33 141.92 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.838 . . . . 0.0 110.167 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -80.59 142.2 34.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.447 -0.783 . . . . 0.0 110.166 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.615 HD13 ' HB3' ' A' ' 89' ' ' PHE . 5.9 pt -79.7 -16.56 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.352 -0.842 . . . . 0.0 110.575 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -59.7 -50.0 75.56 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.215 -0.928 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -70.7 -36.94 73.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.194 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.607 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -71.33 -43.15 67.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.401 -0.812 . . . . 0.0 110.033 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.54 70.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.361 -0.837 . . . . 0.0 110.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.86 -33.45 59.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.836 . . . . 0.0 110.127 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.485 HD13 ' SD ' ' A' ' 124' ' ' MET . 8.3 mt -68.62 -38.32 80.45 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.455 -0.778 . . . . 0.0 110.091 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 116' ' ' LEU . 84.4 mt -79.12 -63.53 1.4 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.459 -0.776 . . . . 0.0 110.143 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.356 -0.84 . . . . 0.0 110.524 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.557 ' O ' HD12 ' A' ' 9' ' ' ILE . 12.1 p . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.152 0.501 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.71 -35.71 73.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.272 -0.893 . . . . 0.0 110.235 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -67.63 -40.95 84.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 0.0 109.959 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 29.0 mm-40 -68.48 -44.85 73.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.437 -0.789 . . . . 0.0 110.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 5' ' ' THR . 12.4 mt -64.13 -28.56 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.357 -0.839 . . . . 0.0 110.008 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -42.12 70.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.393 -0.817 . . . . 0.0 110.022 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -61.67 -48.73 79.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.431 -0.793 . . . . 0.0 110.162 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.596 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 26.3 m-85 -60.15 -39.33 85.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.18 -39.18 81.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.305 -0.872 . . . . 0.0 110.181 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.65 -53.73 46.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.36 -0.837 . . . . 0.0 110.11 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.28 -35.91 81.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.0 110.081 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -66.68 -43.55 84.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.399 -0.813 . . . . 0.0 109.97 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.88 66.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.403 -0.811 . . . . 0.0 110.028 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 15' ' ' ALA . 16.0 mt -66.02 -14.47 61.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.28 -0.888 . . . . 0.0 110.321 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.74 ' O ' HG22 ' A' ' 27' ' ' ILE . 89.7 m-85 -130.79 36.87 3.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.201 -0.937 . . . . 0.0 110.594 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 20' ' ' ASP . 6.1 p30 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.945 . . . . 0.0 110.402 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -151.31 144.5 24.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.318 -1.107 . . . . 0.0 110.213 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.74 HG22 ' O ' ' A' ' 19' ' ' PHE . 45.1 pt -121.24 156.09 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 110.169 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.5 m -84.41 159.96 20.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.348 -0.845 . . . . 0.0 110.258 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -60.28 -25.77 65.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.408 -0.808 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.6 m -66.24 -40.54 90.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.846 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.1 mt-10 -82.34 -13.63 56.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.414 -0.804 . . . . 0.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 63' ' ' ILE . 36.9 tp -57.94 -50.14 74.39 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.181 -0.949 . . . . 0.0 110.385 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.15 74.15 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.388 -0.82 . . . . 0.0 110.344 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 m -67.66 -35.81 79.56 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.334 -0.854 . . . . 0.0 110.039 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 31' ' ' GLU . 72.0 t -62.55 -41.07 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.9 mtt -66.59 -39.02 88.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.401 -0.812 . . . . 0.0 110.017 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -62.76 -31.74 72.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.338 -0.851 . . . . 0.0 110.058 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -35.17 56.97 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.394 -0.816 . . . . 0.0 110.143 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.16 -21.02 64.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.321 -0.862 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.26 35.83 0.91 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.8 mt -123.3 174.11 7.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.388 -1.066 . . . . 0.0 110.197 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -167.2 64.77 0.75 Allowed Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.382 -0.823 . . . . 0.0 110.074 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.28 136.96 25.13 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.797 1.42 . . . . 0.0 110.498 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.631 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.4 m -65.95 179.27 0.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.426 -0.796 . . . . 0.0 110.06 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.3 -28.5 70.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.259 -0.901 . . . . 0.0 109.945 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.05 -43.27 75.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.403 -0.811 . . . . 0.0 110.108 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.96 -34.25 73.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.388 -0.82 . . . . 0.0 109.883 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 44' ' ' SER . 57.4 t -70.53 -38.23 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.486 -0.759 . . . . 0.0 109.835 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -64.03 -40.98 97.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.408 -0.808 . . . . 0.0 109.832 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.93 -49.57 75.63 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.478 -0.764 . . . . 0.0 110.024 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.58 -43.47 98.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.34 -0.85 . . . . 0.0 109.871 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.9 mtt -68.06 -29.18 68.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.465 -0.772 . . . . 0.0 109.869 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -65.59 -37.75 87.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.402 -0.811 . . . . 0.0 109.963 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -73.05 -39.64 65.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.383 -0.823 . . . . 0.0 109.922 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.473 HD11 HD13 ' A' ' 71' ' ' LEU . 14.2 mt -75.59 -62.99 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.487 -0.758 . . . . 0.0 109.852 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.385 -0.822 . . . . 0.0 110.15 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 121.131 0.491 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.709 ' CD1' HD22 ' A' ' 32' ' ' LEU . 72.4 mt -79.94 112.27 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.281 -0.887 . . . . 0.0 110.307 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.87 160.19 20.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.426 -0.796 . . . . 0.0 109.862 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.3 t80 -53.7 -27.85 30.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.313 -0.867 . . . . 0.0 110.488 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.9 p -71.71 -51.69 21.64 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.336 -0.853 . . . . 0.0 110.02 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.12 -34.16 77.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.438 -0.789 . . . . 0.0 110.056 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.48 -48.45 72.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.337 -0.852 . . . . 0.0 110.217 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.732 HD11 ' CE2' ' A' ' 65' ' ' PHE . 43.8 mt -60.46 -35.64 76.33 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.305 -0.872 . . . . 0.0 110.112 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.97 -48.95 56.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.352 -0.843 . . . . 0.0 110.107 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.473 HD13 HD11 ' A' ' 55' ' ' ILE . 30.5 mt -62.98 -36.33 83.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.394 -0.817 . . . . 0.0 109.997 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.596 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 81.1 mmm -65.43 -42.37 92.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.493 -0.754 . . . . 0.0 110.093 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.344 -0.848 . . . . 0.0 110.176 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.277 0.561 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.61 -46.28 90.87 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.298 -0.877 . . . . 0.0 110.114 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.26 -50.02 71.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 109.994 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -32.85 73.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.405 -0.81 . . . . 0.0 110.062 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.99 -38.45 82.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.337 -0.852 . . . . 0.0 110.005 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 91' ' ' VAL . 29.6 mt-10 -63.27 -45.72 90.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.347 -0.846 . . . . 0.0 110.06 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.26 90.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.355 -0.841 . . . . 0.0 110.116 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.66 ' HB3' HD13 ' A' ' 137' ' ' ILE . 7.6 m-85 -63.58 -38.3 90.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.841 . . . . 0.0 110.167 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -33.46 73.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.307 -0.87 . . . . 0.0 110.154 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 87' ' ' GLU . 66.8 t -70.96 -42.18 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.289 -0.882 . . . . 0.0 110.024 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CD2' HG22 ' A' ' 108' ' ' VAL . 8.7 m-85 -65.48 -27.34 68.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.311 -0.868 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.43 176.53 6.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.338 -0.851 . . . . 0.0 110.232 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -89.52 -72.22 0.57 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.336 -0.852 . . . . 0.0 110.244 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -99.54 -73.04 0.64 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.352 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.82 36.85 0.12 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -81.49 -44.12 17.85 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -1.041 . . . . 0.0 110.24 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.58 37.73 8.59 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.3 mt -129.04 102.84 6.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.348 -1.09 . . . . 0.0 110.189 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.6 pt -125.83 160.15 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.372 -0.83 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -79.86 160.4 26.09 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.423 -0.798 . . . . 0.0 110.195 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.48 -28.77 21.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.35 -0.844 . . . . 0.0 110.488 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.79 -53.02 45.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.349 -0.844 . . . . 0.0 110.033 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.807 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.9 mt-10 -62.43 -29.4 70.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.41 -0.806 . . . . 0.0 109.918 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.804 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -69.27 -44.54 71.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.398 -0.814 . . . . 0.0 110.112 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -41.51 98.55 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.4 -0.813 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -63.46 -38.35 90.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -0.814 . . . . 0.0 110.161 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 104' ' ' GLU . 85.6 t -65.43 -44.35 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.36 -0.837 . . . . 0.0 110.028 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 mp -62.25 -29.8 70.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.062 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.7 m -74.51 -43.37 56.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 110.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -42.96 99.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.347 -0.846 . . . . 0.0 110.122 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.05 -23.08 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.424 -0.798 . . . . 0.0 110.145 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.2 23.36 44.8 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.36 105.08 6.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.32 -1.106 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -73.24 63.85 0.75 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.323 -0.86 . . . . 0.0 110.148 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 120' ' ' GLU . 6.2 mt -89.68 149.7 22.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.893 . . . . 0.0 110.173 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.0 p -87.89 159.16 18.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.323 -0.861 . . . . 0.0 110.18 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.53 -25.26 64.36 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.356 -0.84 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.19 -34.98 77.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.361 -0.837 . . . . 0.0 110.147 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HB3' HD22 ' A' ' 116' ' ' LEU . 16.4 mm-40 -69.76 -52.98 20.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.331 -0.855 . . . . 0.0 110.086 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.74 -25.55 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.383 -0.823 . . . . 0.0 110.026 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.99 -44.32 48.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.376 -0.827 . . . . 0.0 110.067 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -26.64 61.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.06 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.586 ' HE1' HD21 ' A' ' 144' ' ' LEU . 3.9 mtp -79.71 -36.14 37.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.317 -0.864 . . . . 0.0 110.236 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.25 -40.51 77.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.391 -0.818 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -65.92 -36.78 84.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 110.281 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -80.09 -30.19 39.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.323 -0.861 . . . . 0.0 110.528 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 124' ' ' MET . 57.5 t -92.45 -59.16 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.312 -0.868 . . . . 0.0 110.348 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 t -57.91 115.04 2.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.345 -0.847 . . . . 0.0 110.38 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -167.89 32.73 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.457 -0.777 . . . . 0.0 110.194 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -125.85 -98.97 1.14 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.6 t -120.48 -72.07 0.71 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -1.069 . . . . 0.0 110.176 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.77 29.41 0.55 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -137.82 158.9 43.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.427 -1.043 . . . . 0.0 110.273 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.457 HG23 HG12 ' A' ' 128' ' ' VAL . 83.0 mt -133.54 149.14 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.408 -0.807 . . . . 0.0 110.133 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -88.6 125.47 34.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.316 -0.865 . . . . 0.0 110.223 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.66 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.5 pt -67.26 -19.0 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.425 -0.797 . . . . 0.0 110.379 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -68.1 -51.08 50.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.222 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -62.72 -36.28 82.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.326 -0.859 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.804 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -70.92 -41.74 70.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.843 . . . . 0.0 110.117 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.46 74.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.4 -0.812 . . . . 0.0 110.152 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.44 -27.65 41.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.334 -0.854 . . . . 0.0 110.173 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.9 mt -71.29 -36.26 71.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.369 -0.832 . . . . 0.0 110.124 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.586 HD21 ' HE1' ' A' ' 124' ' ' MET . 92.7 mt -77.51 -27.23 51.7 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.448 -0.782 . . . . 0.0 110.182 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 64.2 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.342 -0.849 . . . . 0.0 110.197 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.159 0.504 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -62.51 -36.91 84.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.846 . . . . 0.0 110.192 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.93 -41.9 86.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.264 -0.897 . . . . 0.0 110.071 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 14.4 mm-40 -68.67 -43.68 75.64 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.425 -0.797 . . . . 0.0 110.062 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.5 mt -66.72 -32.57 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.34 -34.64 72.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.37 -0.831 . . . . 0.0 110.128 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -67.35 -45.57 75.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.096 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 23.9 m-85 -63.17 -41.4 99.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 109.995 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.5 ttmt -59.26 -38.89 81.2 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.407 -0.808 . . . . 0.0 110.207 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.08 -53.66 46.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.328 -0.858 . . . . 0.0 110.097 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.46 -34.87 78.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.38 -0.825 . . . . 0.0 110.242 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -69.31 -40.46 77.63 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.337 -0.852 . . . . 0.0 110.149 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.01 73.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.446 -0.784 . . . . 0.0 110.145 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.71 -39.74 94.98 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 110.102 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -101.78 25.04 9.03 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.409 -0.807 . . . . 0.0 110.152 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.409 -0.807 . . . . 0.0 110.113 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -159.88 139.64 11.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.287 -1.125 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -125.16 158.84 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.86 . . . . 0.0 110.158 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.9 m -80.84 158.52 25.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 110.18 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -62.27 -27.18 68.84 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.386 -0.821 . . . . 0.0 110.317 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -64.34 -41.82 96.58 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.323 -0.86 . . . . 0.0 110.16 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.823 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.7 mt-10 -78.49 -15.65 58.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.289 -0.882 . . . . 0.0 110.472 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.6 tp -54.18 -55.15 30.72 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.257 -0.902 . . . . 0.0 110.55 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.55 79.38 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.273 -0.892 . . . . 0.0 110.204 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.1 m -63.56 -39.64 94.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.381 -0.824 . . . . 0.0 110.014 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 31' ' ' GLU . 84.7 t -62.2 -43.87 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.431 -0.793 . . . . 0.0 109.968 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.3 mtt -62.77 -31.43 72.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.497 -0.752 . . . . 0.0 109.948 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -69.57 -38.62 77.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.427 -0.796 . . . . 0.0 110.242 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -34.09 62.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.35 -0.844 . . . . 0.0 110.294 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.1 mt -60.97 -25.06 66.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.317 -0.864 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.95 33.23 1.56 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.2 mt -123.3 -177.24 3.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.407 -1.055 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t -168.05 68.45 0.81 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.41 -0.807 . . . . 0.0 110.22 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.64 137.29 24.78 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.749 1.394 . . . . 0.0 110.264 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.8 167.06 2.97 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.267 -0.895 . . . . 0.0 110.144 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -27.72 63.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 110.117 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.43 66.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.436 -0.79 . . . . 0.0 109.912 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.69 -37.32 86.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.357 -0.84 . . . . 0.0 109.997 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.05 -44.4 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.387 -0.82 . . . . 0.0 109.914 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -32.13 72.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.315 -0.865 . . . . 0.0 110.03 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -67.68 -50.62 56.82 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.38 -0.825 . . . . 0.0 109.933 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.84 -40.28 96.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.398 -0.814 . . . . 0.0 109.885 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mtt -66.81 -35.39 79.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.401 -0.812 . . . . 0.0 110.026 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -62.65 -40.81 98.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.39 -0.819 . . . . 0.0 109.92 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.6 -36.75 83.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.443 -0.786 . . . . 0.0 109.832 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.57 HD11 HD13 ' A' ' 71' ' ' LEU . 9.8 mt -80.14 -58.83 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.454 -0.779 . . . . 0.0 109.992 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.397 -0.814 . . . . 0.0 110.376 -179.777 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.136 0.493 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.42 ' CD1' HD13 ' A' ' 55' ' ' ILE . 82.7 mt -95.75 111.1 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.36 -0.838 . . . . 0.0 110.335 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.29 160.15 24.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.481 -0.762 . . . . 0.0 109.924 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.529 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.6 t80 -56.79 -28.68 61.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.27 -0.894 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -52.63 26.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.427 -0.796 . . . . 0.0 110.041 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' O ' HD12 ' A' ' 71' ' ' LEU . 7.6 mm-40 -65.78 -35.14 79.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.382 -0.824 . . . . 0.0 109.98 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.47 -51.72 67.52 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.393 -0.817 . . . . 0.0 109.935 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 65' ' ' PHE . 52.1 mt -56.76 -41.11 77.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.842 . . . . 0.0 110.075 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.31 -49.18 58.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.442 -0.786 . . . . 0.0 109.911 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.57 HD13 HD11 ' A' ' 55' ' ' ILE . 6.5 mt -62.39 -33.91 75.69 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.438 -0.789 . . . . 0.0 110.029 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.405 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 76.3 mmm -70.56 -44.03 68.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.428 -0.795 . . . . 0.0 110.039 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 110.006 179.79 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.134 0.492 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -57.11 -37.54 72.1 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.389 -0.819 . . . . 0.0 110.22 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.39 -45.0 95.12 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.328 -0.858 . . . . 0.0 109.978 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 144' ' ' LEU . 0.6 OUTLIER -62.52 -42.36 99.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 109.917 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.85 -35.84 77.61 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.83 . . . . 0.0 109.874 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -50.79 70.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.368 -0.833 . . . . 0.0 109.908 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.42 94.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 110.011 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.731 ' HB3' HG21 ' A' ' 137' ' ' ILE . 10.1 m-85 -61.45 -33.46 73.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.418 -0.801 . . . . 0.0 110.064 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -43.24 90.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.423 -0.798 . . . . 0.0 110.076 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.09 -38.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.348 -0.845 . . . . 0.0 109.965 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.439 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 7.0 m-85 -68.28 -26.93 65.9 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.403 -0.811 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -78.31 152.33 32.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.905 . . . . 0.0 110.16 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.17 -52.94 3.03 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.375 -0.828 . . . . 0.0 110.217 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -64.13 -35.58 81.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.873 . . . . 0.0 110.144 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.5 48.6 3.43 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.91 20.32 6.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -1.054 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.23 47.95 88.3 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 99' ' ' LEU . 20.0 mt -141.76 110.69 6.22 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -1.129 . . . . 0.0 110.247 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.429 HD11 HD12 ' A' ' 105' ' ' LEU . 35.9 pt -132.39 160.14 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.387 -0.821 . . . . 0.0 110.191 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -79.81 160.32 26.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.395 -0.815 . . . . 0.0 110.315 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.39 -34.53 48.42 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.376 -0.827 . . . . 0.0 110.437 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.15 -53.01 61.44 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.412 -0.805 . . . . 0.0 110.061 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 108' ' ' VAL . 53.2 mt-10 -62.36 -32.65 73.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.33 -0.856 . . . . 0.0 109.974 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.728 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -69.05 -43.41 74.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.419 -0.801 . . . . 0.0 110.164 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -61.27 -38.35 86.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.319 -0.863 . . . . 0.0 110.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -68.89 -33.07 73.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 110.052 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 104' ' ' GLU . 79.8 t -72.53 -44.56 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.389 -0.819 . . . . 0.0 109.942 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.66 -33.64 74.31 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.414 -0.804 . . . . 0.0 110.155 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.0 m -79.57 -30.09 41.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.301 -0.875 . . . . 0.0 110.2 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -73.59 -40.84 63.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.341 -0.849 . . . . 0.0 110.181 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.2 mt -62.49 -26.27 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.344 -0.848 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.38 29.15 31.09 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.74 142.73 54.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.403 -1.057 . . . . 0.0 110.106 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -80.2 62.88 4.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -0.865 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.2 mt -124.96 131.23 53.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 0.0 110.236 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.2 p -84.26 -166.97 1.59 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.394 -0.816 . . . . 0.0 110.203 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.4 -33.69 42.46 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.361 -0.837 . . . . 0.0 110.122 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.47 98.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.388 -0.82 . . . . 0.0 110.108 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.48 -51.42 67.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.4 HG12 HD12 ' A' ' 125' ' ' LEU . 64.6 t -60.34 -26.85 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.41 -0.806 . . . . 0.0 110.104 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.5 -47.14 67.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 110.077 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -68.22 -32.51 72.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.355 -0.841 . . . . 0.0 110.15 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 128' ' ' VAL . 6.4 mtp -77.01 -28.62 55.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.379 -0.826 . . . . 0.0 110.169 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.4 HD12 HG12 ' A' ' 121' ' ' VAL . 5.3 mt -70.19 -45.19 67.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -68.04 -30.69 69.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.338 -0.851 . . . . 0.0 110.308 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -80.07 -27.34 39.35 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.326 -0.859 . . . . 0.0 110.236 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.627 HG12 HG23 ' A' ' 135' ' ' ILE . 65.5 t -95.98 -37.64 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.264 -0.898 . . . . 0.0 110.237 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.5 t -61.08 114.77 3.29 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.396 -0.815 . . . . 0.0 110.204 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -100.33 -44.94 5.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.348 -0.845 . . . . 0.0 110.335 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 132' ' ' SER . . . -117.86 9.96 14.05 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 131' ' ' GLY . 1.3 t 68.76 -3.42 1.43 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.353 -1.086 . . . . 0.0 111.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -88.36 -112.16 1.13 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -85.67 153.17 22.54 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.419 -1.048 . . . . 0.0 110.312 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.627 HG23 HG12 ' A' ' 128' ' ' VAL . 86.1 mt -116.18 148.43 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.427 -0.795 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -88.26 118.96 28.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.336 -0.853 . . . . 0.0 110.193 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.731 HG21 ' HB3' ' A' ' 89' ' ' PHE . 24.2 pt -61.63 -18.92 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.432 -0.793 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -56.49 21.14 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.206 -0.934 . . . . 0.0 110.341 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -63.61 -40.95 98.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.306 -0.872 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.728 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.91 -36.73 84.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.277 -0.889 . . . . 0.0 110.132 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -70.43 -27.62 64.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 110.223 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.69 -38.5 64.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.316 -0.865 . . . . 0.0 110.179 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.08 -34.79 68.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.335 -0.853 . . . . 0.0 110.219 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 85' ' ' LEU . 91.9 mt -79.98 -10.28 59.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.85 . . . . 0.0 110.598 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.184 -0.948 . . . . 0.0 110.299 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 9' ' ' ILE . 18.4 p . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.148 0.499 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.47 -39.96 85.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.386 -0.821 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.84 -46.42 81.98 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.41 -0.806 . . . . 0.0 110.015 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.403 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 93.6 mt-30 -67.12 -41.49 86.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.327 -0.858 . . . . 0.0 110.072 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 5' ' ' THR . 40.3 mt -67.03 -32.88 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.397 -0.815 . . . . 0.0 109.914 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.58 73.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.39 -0.819 . . . . 0.0 109.935 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.0 -50.96 52.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.394 -0.816 . . . . 0.0 110.092 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.1 m-85 -60.48 -38.76 85.27 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.391 -0.818 . . . . 0.0 109.986 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -60.5 -39.83 89.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.389 -0.82 . . . . 0.0 110.039 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -61.89 -50.08 73.64 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.405 -0.809 . . . . 0.0 109.972 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -70.14 -27.72 64.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.399 -0.813 . . . . 0.0 110.004 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.736 ' CE1' HG23 ' A' ' 27' ' ' ILE . 7.4 t80 -75.72 -43.16 48.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.35 -0.844 . . . . 0.0 110.037 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.19 -29.75 69.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.374 -0.829 . . . . 0.0 110.104 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 15' ' ' ALA . 17.5 mt -62.01 -41.37 97.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.304 -0.873 . . . . 0.0 110.178 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -90.7 -28.85 18.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.372 -0.83 . . . . 0.0 110.241 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.329 -0.857 . . . . 0.0 109.947 179.829 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 p -134.44 145.34 48.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -1.09 . . . . 0.0 110.226 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.736 HG23 ' CE1' ' A' ' 16' ' ' PHE . 44.4 pt -119.57 158.18 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.364 -0.835 . . . . 0.0 110.223 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -81.59 160.13 23.89 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -65.59 -27.46 68.43 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.356 -0.84 . . . . 0.0 110.188 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.6 t -61.53 -30.87 70.91 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.289 -0.882 . . . . 0.0 110.159 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 26.1 mt-10 -93.11 -16.23 25.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.413 -0.804 . . . . 0.0 110.356 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD22 ' CD1' ' A' ' 63' ' ' ILE . 67.7 tp -53.58 -53.57 49.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.231 -0.918 . . . . 0.0 110.452 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.569 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -59.11 -40.23 84.72 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 110.224 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.1 m -68.98 -38.3 79.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.295 -0.878 . . . . 0.0 110.079 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.4 t -62.58 -36.62 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.379 -0.825 . . . . 0.0 109.795 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 42.4 mtt -69.45 -37.15 77.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.361 -0.837 . . . . 0.0 109.788 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -65.87 -36.25 82.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.422 -0.799 . . . . 0.0 110.113 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -69.25 -37.76 78.1 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.367 -0.833 . . . . 0.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.8 mt -63.92 -27.33 69.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.365 -0.834 . . . . 0.0 110.2 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.34 40.08 0.31 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.5 mt -128.55 176.37 7.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.307 -1.114 . . . . 0.0 110.132 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -167.23 63.7 0.7 Allowed Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.349 -0.844 . . . . 0.0 110.192 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.9 137.99 25.26 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 O-C-N 123.771 1.406 . . . . 0.0 110.431 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.73 171.33 1.19 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.428 -0.795 . . . . 0.0 110.178 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -59.69 -27.47 66.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.32 -0.862 . . . . 0.0 110.179 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.63 76.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.338 -0.851 . . . . 0.0 110.052 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -41.49 95.41 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.402 -0.812 . . . . 0.0 110.066 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 33' ' ' ALA . 60.4 t -62.59 -38.67 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.366 -0.834 . . . . 0.0 109.913 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -62.74 -40.84 98.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.364 -0.835 . . . . 0.0 110.029 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.92 -48.75 79.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.41 -0.806 . . . . 0.0 110.091 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.37 -38.79 88.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.347 -0.845 . . . . 0.0 110.002 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.4 mtt -69.71 -29.76 67.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.0 110.014 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -67.45 -39.22 85.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 110.097 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -72.36 -35.65 68.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.412 -0.805 . . . . 0.0 110.06 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.531 HD11 HD13 ' A' ' 71' ' ' LEU . 4.8 mt -83.04 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.454 -0.779 . . . . 0.0 109.996 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.326 -0.859 . . . . 0.0 110.518 -179.793 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.196 0.522 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.496 ' CD1' HD22 ' A' ' 32' ' ' LEU . 71.9 mt -89.1 121.68 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.279 -0.888 . . . . 0.0 110.317 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -92.77 160.16 15.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 109.982 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.674 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.8 t80 -55.92 -29.32 59.89 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.365 -0.834 . . . . 0.0 110.357 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -68.84 -54.02 18.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.331 -0.856 . . . . 0.0 110.003 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -66.39 -34.84 78.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.319 -0.863 . . . . 0.0 110.041 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.59 -48.89 77.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 110.033 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.674 HD11 ' CE2' ' A' ' 65' ' ' PHE . 47.4 mt -59.46 -39.84 84.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.289 -0.882 . . . . 0.0 110.196 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.72 77.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 110.048 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.531 HD13 HD11 ' A' ' 55' ' ' ILE . 13.0 mt -61.1 -42.89 99.35 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.354 -0.841 . . . . 0.0 110.026 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.0 mmm -63.01 -35.28 79.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.967 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.418 -0.801 . . . . 0.0 110.185 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 121.075 0.464 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.47 -31.39 70.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.415 -0.803 . . . . 0.0 109.943 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.69 -43.05 90.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.47 -0.768 . . . . 0.0 110.041 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.425 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -65.03 -43.64 91.71 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.997 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.51 -32.67 74.2 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.412 -0.805 . . . . 0.0 109.988 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.4 tp10 -66.28 -47.02 75.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.841 . . . . 0.0 109.992 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.86 -45.6 91.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.322 -0.861 . . . . 0.0 110.086 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HB3' HD13 ' A' ' 137' ' ' ILE . 9.5 m-85 -61.66 -33.76 74.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.307 -0.871 . . . . 0.0 110.094 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -41.54 92.54 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.374 -0.829 . . . . 0.0 110.056 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 87' ' ' GLU . 57.7 t -65.36 -33.82 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.354 -0.841 . . . . 0.0 110.0 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -74.87 -27.93 60.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.185 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.77 176.09 9.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.335 -0.853 . . . . 0.0 110.206 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -149.21 50.09 0.97 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.815 . . . . 0.0 110.226 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -166.61 -62.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.404 -0.81 . . . . 0.0 110.157 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.83 -26.89 2.48 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.49 -32.35 71.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -1.071 . . . . 0.0 110.29 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.94 62.13 1.25 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 37.4 mt -136.18 127.04 27.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.344 -1.092 . . . . 0.0 110.162 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 pt -138.77 160.23 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.324 -0.86 . . . . 0.0 110.218 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.8 m -79.77 160.28 26.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.373 -0.829 . . . . 0.0 110.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.86 -34.14 53.02 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.402 -0.811 . . . . 0.0 110.482 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.64 -57.43 11.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.251 -0.906 . . . . 0.0 110.12 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.0 mm-40 -59.4 -28.49 66.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.363 -0.836 . . . . 0.0 110.004 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.932 HD21 ' CE2' ' A' ' 140' ' ' PHE . 16.2 tp -68.77 -46.54 68.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.418 -0.801 . . . . 0.0 110.07 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -65.37 -28.77 69.51 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.42 -43.34 77.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.134 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.731 HG12 HD11 ' A' ' 112' ' ' ILE . 68.5 t -65.88 -41.95 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.299 -0.875 . . . . 0.0 110.002 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 140' ' ' PHE . 1.6 mt -60.69 -35.68 76.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.364 -0.835 . . . . 0.0 110.222 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.4 m -79.97 -30.36 39.74 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.458 -0.776 . . . . 0.0 110.149 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.8 t -74.54 -42.61 58.54 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.282 -0.886 . . . . 0.0 110.162 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.731 HD11 HG12 ' A' ' 108' ' ' VAL . 66.2 mt -60.3 -25.22 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.335 -0.853 . . . . 0.0 110.213 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.84 27.2 38.86 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.03 -16.99 62.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.368 -1.078 . . . . 0.0 110.201 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt 54.93 44.91 27.55 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.271 -0.893 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.12 118.47 31.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.364 -0.835 . . . . 0.0 110.176 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -59.74 166.09 2.75 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.415 -0.803 . . . . 0.0 110.233 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.12 -29.55 69.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.293 -0.88 . . . . 0.0 110.191 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.28 -46.42 88.88 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.342 -0.849 . . . . 0.0 110.052 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.69 -51.86 65.56 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.356 -0.84 . . . . 0.0 110.155 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.61 -27.26 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.37 -0.832 . . . . 0.0 109.955 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.37 -48.9 25.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.332 -0.855 . . . . 0.0 109.981 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.44 -29.23 69.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.1 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.421 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 2.9 mtp -75.6 -37.5 59.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.425 -0.797 . . . . 0.0 110.001 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.49 -32.62 73.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.398 -0.814 . . . . 0.0 110.095 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -39.14 93.57 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.364 -0.835 . . . . 0.0 110.201 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -80.3 -33.19 37.83 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.298 -0.876 . . . . 0.0 110.395 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.58 HG12 HG23 ' A' ' 135' ' ' ILE . 57.4 t -87.53 -60.95 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.869 . . . . 0.0 110.254 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 t -56.92 107.64 0.42 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.353 -0.842 . . . . 0.0 110.412 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -167.63 32.12 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.428 -0.795 . . . . 0.0 110.176 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.9 -104.96 1.98 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -41.25 3.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.346 -1.09 . . . . 0.0 110.275 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -179.41 -38.0 0.07 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 153.7 28.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.356 -1.085 . . . . 0.0 110.112 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.58 HG23 HG12 ' A' ' 128' ' ' VAL . 79.9 mt -121.22 144.76 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.372 -0.83 . . . . 0.0 110.107 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -85.44 130.85 34.49 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.381 -0.825 . . . . 0.0 110.166 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 89' ' ' PHE . 18.6 pt -70.08 -21.24 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.356 -0.84 . . . . 0.0 110.483 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -51.89 67.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.927 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -64.01 -38.41 90.96 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.391 -0.818 . . . . 0.0 110.143 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.932 ' CE2' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -69.84 -41.35 75.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.045 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.67 69.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.867 . . . . 0.0 110.116 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.15 -40.5 59.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.298 -0.876 . . . . 0.0 110.114 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.88 -32.48 74.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.352 -0.842 . . . . 0.0 110.092 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.02 -29.45 39.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -0.834 . . . . 0.0 110.201 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.378 -0.826 . . . . 0.0 110.227 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.169 0.509 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.99 -40.1 92.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.412 -0.805 . . . . 0.0 110.199 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -61.93 -47.79 83.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.128 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -61.62 -43.75 98.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.344 -0.848 . . . . 0.0 110.173 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.25 -31.95 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.408 -0.807 . . . . 0.0 109.98 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.0 89.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.332 -0.855 . . . . 0.0 110.008 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.21 -48.4 65.28 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.325 -0.859 . . . . 0.0 110.126 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -62.57 -38.18 89.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 0.0 110.025 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 2.9 ttmm -62.59 -39.94 95.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.232 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.48 -49.14 76.57 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.322 -0.861 . . . . 0.0 110.201 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.47 -27.19 65.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 0.0 110.128 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.711 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.0 t80 -74.96 -46.85 32.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.21 -0.932 . . . . 0.0 110.172 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.57 -24.76 64.64 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.413 -0.804 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 18' ' ' LEU . 11.2 mt -63.11 -31.42 72.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.231 -0.918 . . . . 0.0 110.379 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -103.73 -27.7 12.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.31 -0.869 . . . . 0.0 110.41 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.27 -0.894 . . . . 0.0 109.971 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 p -148.42 148.62 30.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.31 -1.112 . . . . 0.0 110.177 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.711 HG23 ' CE1' ' A' ' 16' ' ' PHE . 46.1 pt -119.87 157.74 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.438 -0.788 . . . . 0.0 110.182 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -82.06 160.05 23.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.462 -0.774 . . . . 0.0 110.241 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -38.53 80.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.863 . . . . 0.0 110.339 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -55.79 -25.72 42.63 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -0.9 . . . . 0.0 110.349 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.812 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.2 mt-10 -95.05 -16.32 22.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.307 -0.871 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 63' ' ' ILE . 63.8 tp -58.5 -49.95 75.53 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.222 -0.924 . . . . 0.0 110.346 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.79 85.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.374 -0.829 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.5 m -68.47 -40.34 81.06 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.363 -0.836 . . . . 0.0 110.092 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.8 t -60.87 -34.37 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.83 . . . . 0.0 109.89 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.1 mtt -72.86 -34.72 66.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.436 -0.79 . . . . 0.0 109.798 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -65.32 -35.51 81.21 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.513 -0.742 . . . . 0.0 110.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.6 m -80.2 -33.24 38.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.421 -0.799 . . . . 0.0 110.229 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.5 -22.14 66.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.36 -0.838 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.67 31.2 1.68 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.4 mt -122.18 178.33 4.97 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.307 -1.113 . . . . 0.0 110.021 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 p -167.32 64.78 0.74 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.287 -0.883 . . . . 0.0 110.38 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.5 137.74 25.85 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 O-C-N 123.7 1.369 . . . . 0.0 110.417 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.6 m -61.98 172.81 1.24 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.388 -0.82 . . . . 0.0 110.113 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -27.65 68.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.383 -0.823 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.72 -43.43 75.96 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.832 . . . . 0.0 110.117 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -67.79 -36.38 80.34 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.351 -0.843 . . . . 0.0 109.965 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 44' ' ' SER . 67.1 t -67.71 -40.23 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.368 -0.832 . . . . 0.0 109.945 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -61.88 -41.4 97.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.376 -0.827 . . . . 0.0 110.055 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.89 -48.37 82.11 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.381 -0.825 . . . . 0.0 110.107 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 55' ' ' ILE . 4.5 mp -62.28 -44.19 97.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.402 -0.811 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mtt -67.86 -29.11 68.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -0.824 . . . . 0.0 109.952 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -66.44 -37.08 84.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.432 -0.792 . . . . 0.0 109.985 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -75.61 -31.39 59.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.402 -0.811 . . . . 0.0 109.921 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 51' ' ' LEU . 10.8 mt -87.26 -62.23 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.546 -0.721 . . . . 0.0 109.981 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.411 -0.806 . . . . 0.0 110.248 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.215 0.531 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.433 ' CD1' HD22 ' A' ' 32' ' ' LEU . 76.7 mt -82.17 131.3 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.412 -0.805 . . . . 0.0 110.306 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -94.23 160.11 14.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.391 -0.818 . . . . 0.0 110.046 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.638 ' CE2' HD11 ' A' ' 69' ' ' LEU . 22.8 t80 -57.49 -33.15 67.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.308 -0.87 . . . . 0.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.9 t -66.49 -54.2 26.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.399 -0.813 . . . . 0.0 110.075 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.69 -35.18 78.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.342 -0.849 . . . . 0.0 110.035 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -64.93 -45.4 85.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.34 -0.85 . . . . 0.0 110.129 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 65' ' ' PHE . 50.4 mt -59.63 -38.68 81.99 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.319 -0.863 . . . . 0.0 110.106 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.51 -50.79 41.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.432 -0.793 . . . . 0.0 109.971 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.36 -31.33 70.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.313 -0.867 . . . . 0.0 109.894 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.433 ' HB3' ' HE3' ' A' ' 72' ' ' MET . 73.4 mmm -70.19 -41.53 73.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 109.96 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.411 -0.806 . . . . 0.0 110.053 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.197 0.523 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.65 -43.15 99.55 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.349 -0.845 . . . . 0.0 110.112 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.81 -43.9 97.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.347 -0.846 . . . . 0.0 110.137 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -45.85 92.36 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.346 -0.846 . . . . 0.0 110.08 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.11 -29.96 71.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.335 -0.853 . . . . 0.0 109.997 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -46.27 62.4 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.41 -0.806 . . . . 0.0 109.993 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.94 -44.82 95.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.396 -0.815 . . . . 0.0 110.088 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.635 ' HB3' HD13 ' A' ' 137' ' ' ILE . 10.3 m-85 -63.39 -31.09 72.15 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.452 -0.78 . . . . 0.0 110.115 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -66.58 -42.61 86.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.359 -0.838 . . . . 0.0 110.203 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.53 -47.89 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.353 -0.842 . . . . 0.0 109.99 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.38 -27.37 68.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.334 -0.854 . . . . 0.0 110.205 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 95' ' ' ASN . 23.6 t0 -67.57 -30.32 69.91 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.316 -0.865 . . . . 0.0 110.187 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.93 -66.41 0.16 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.573 -0.704 . . . . 0.0 110.486 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ASP . 19.0 m120 -55.52 -70.1 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.272 -0.893 . . . . 0.0 110.348 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.47 -28.39 1.07 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -61.31 -58.91 6.33 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.371 -1.076 . . . . 0.0 110.193 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.0 50.9 0.19 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 81.6 mt -121.47 104.7 9.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.242 -1.152 . . . . 0.0 110.155 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.9 pt -126.14 159.77 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.351 -0.843 . . . . 0.0 110.306 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 t -79.89 160.3 26.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.25 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.9 -28.53 23.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.351 -0.843 . . . . 0.0 110.446 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.3 -53.07 49.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 0.0 110.108 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 108' ' ' VAL . 10.4 mt-10 -62.88 -33.14 74.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.419 -0.8 . . . . 0.0 110.108 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.803 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.1 tp -67.5 -40.29 85.2 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.359 -0.838 . . . . 0.0 109.97 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -68.23 -37.22 80.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.362 -0.836 . . . . 0.0 110.258 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -67.44 -31.48 71.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.376 -0.828 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 104' ' ' GLU . 98.6 t -74.95 -39.08 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.388 -0.82 . . . . 0.0 110.14 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.7 -40.83 98.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.397 -0.815 . . . . 0.0 110.234 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.5 m -71.63 -32.39 67.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -68.14 -43.97 77.11 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.31 -0.869 . . . . 0.0 110.211 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.89 -29.38 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.395 -0.815 . . . . 0.0 109.971 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.88 27.09 22.6 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.39 150.1 42.02 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.325 -1.103 . . . . 0.0 110.123 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 64.53 3.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.423 -0.798 . . . . 0.0 110.26 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.655 HD11 HD22 ' A' ' 144' ' ' LEU . 59.5 mt -112.36 104.37 12.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.0 110.121 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.0 p -58.87 166.23 2.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.0 110.344 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.87 -29.63 70.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.386 -0.821 . . . . 0.0 110.14 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.93 96.73 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.423 -0.798 . . . . 0.0 110.111 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -65.4 -51.94 56.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.39 -0.819 . . . . 0.0 110.067 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.621 HG12 ' CD1' ' A' ' 125' ' ' LEU . 88.8 t -62.66 -28.37 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 109.94 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.16 -44.28 76.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.329 -0.857 . . . . 0.0 110.004 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.89 -29.13 68.16 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.364 -0.835 . . . . 0.0 109.95 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.492 ' HE2' ' CZ ' ' A' ' 140' ' ' PHE . 0.3 OUTLIER -79.28 -35.1 41.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.386 -0.821 . . . . 0.0 110.032 179.836 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.621 ' CD1' HG12 ' A' ' 121' ' ' VAL . 57.1 mt -71.43 -26.28 62.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.416 -0.803 . . . . 0.0 110.158 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -69.53 -37.97 77.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.078 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -80.08 -29.87 39.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 110.189 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.667 ' CG1' HG23 ' A' ' 135' ' ' ILE . 59.7 t -96.67 -61.16 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.348 -0.845 . . . . 0.0 110.267 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 t -72.56 -159.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.388 -0.82 . . . . 0.0 110.243 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.03 40.63 28.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.385 -0.822 . . . . 0.0 110.496 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -149.5 -48.6 0.02 OUTLIER Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 45.6 m -128.7 -42.24 1.45 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.084 . . . . 0.0 110.185 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 133.24 -52.77 0.81 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -87.0 135.2 33.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.349 -1.089 . . . . 0.0 110.16 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.667 HG23 ' CG1' ' A' ' 128' ' ' VAL . 88.7 mt -102.84 146.67 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.317 -0.864 . . . . 0.0 110.119 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -92.57 137.84 32.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.456 -0.778 . . . . 0.0 110.17 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.635 HD13 ' HB3' ' A' ' 89' ' ' PHE . 1.1 pt -76.81 -21.2 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.329 -0.857 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.55 -53.88 20.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.255 -0.903 . . . . 0.0 110.215 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.45 -40.44 97.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.388 -0.82 . . . . 0.0 110.147 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.803 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -66.94 -44.41 80.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.839 . . . . 0.0 110.093 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.01 -30.2 70.79 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.392 -0.817 . . . . 0.0 110.088 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.32 -33.81 63.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.354 -0.841 . . . . 0.0 110.053 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.487 HD13 ' HG2' ' A' ' 124' ' ' MET . 13.8 mt -69.16 -34.08 74.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.408 -0.808 . . . . 0.0 110.198 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.655 HD22 HD11 ' A' ' 116' ' ' LEU . 87.0 mt -73.66 -49.74 24.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.339 -0.85 . . . . 0.0 110.237 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.33 -0.856 . . . . 0.0 110.108 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.208 0.528 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -61.41 -37.38 83.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 110.297 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.15 -44.95 86.93 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.383 -0.823 . . . . 0.0 110.216 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 6.1 mt-30 -66.84 -42.34 85.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.446 -0.784 . . . . 0.0 110.225 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.58 -31.67 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.348 -0.845 . . . . 0.0 110.052 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.56 81.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.422 -0.799 . . . . 0.0 110.078 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -67.03 -48.43 68.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.323 -0.86 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.43 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 23.2 m-85 -60.82 -37.83 83.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.343 -0.848 . . . . 0.0 110.148 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -61.06 -43.14 99.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.319 -0.863 . . . . 0.0 110.204 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.31 -53.73 53.0 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.352 -0.842 . . . . 0.0 110.159 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -63.67 -37.28 86.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.299 -0.876 . . . . 0.0 110.149 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.9 t80 -68.05 -42.39 80.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.318 -0.864 . . . . 0.0 110.212 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -29.05 70.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 110.162 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 15' ' ' ALA . 22.6 mt -63.19 -30.98 72.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.297 -0.877 . . . . 0.0 110.169 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.666 ' O ' HG22 ' A' ' 27' ' ' ILE . 97.5 m-85 -114.98 25.12 11.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.403 -0.811 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.19 -0.944 . . . . 0.0 110.425 -179.85 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 p -160.32 105.09 1.47 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.423 -1.045 . . . . 0.0 110.105 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 19' ' ' PHE . 36.2 pt -109.16 149.23 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.136 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.33 158.54 26.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.407 -0.808 . . . . 0.0 110.174 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -60.78 -28.98 69.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.334 -0.853 . . . . 0.0 110.247 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -62.17 -28.38 69.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.357 -0.84 . . . . 0.0 110.221 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.831 ' O ' HG23 ' A' ' 35' ' ' VAL . 28.7 mt-10 -93.66 -14.84 25.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.338 -0.851 . . . . 0.0 110.397 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.557 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 56.5 tp -54.5 -51.62 64.51 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.242 -0.911 . . . . 0.0 110.354 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.67 85.69 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 110.157 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -67.77 -37.81 82.6 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.327 -0.858 . . . . 0.0 110.064 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 31' ' ' GLU . 91.8 t -63.43 -37.0 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.349 -0.844 . . . . 0.0 109.936 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.8 mtt -69.6 -35.79 75.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.404 -0.81 . . . . 0.0 109.98 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -66.1 -36.62 83.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.445 -0.785 . . . . 0.0 110.287 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -76.11 -30.86 58.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.355 -0.84 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.94 -23.18 63.16 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.339 -0.851 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.38 32.48 1.35 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.3 mt -123.36 176.3 6.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.313 -1.11 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -168.67 68.65 0.73 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.298 -0.876 . . . . 0.0 110.231 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.92 140.02 28.13 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.812 1.427 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.07 169.15 1.13 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.387 -0.82 . . . . 0.0 110.206 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.19 -29.79 68.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.36 -0.837 . . . . 0.0 110.214 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.46 -41.5 72.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.421 -0.8 . . . . 0.0 110.074 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.67 -39.73 94.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.314 -0.866 . . . . 0.0 109.861 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.34 -49.86 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.41 -0.806 . . . . 0.0 110.011 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -52.18 -43.72 64.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.328 -0.857 . . . . 0.0 110.392 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -58.01 -48.0 81.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.244 -0.91 . . . . 0.0 110.005 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.558 ' O ' HD12 ' A' ' 55' ' ' ILE . 5.6 mp -65.31 -50.67 64.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.339 -0.851 . . . . 0.0 109.882 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.557 ' HE3' ' HB3' ' A' ' 32' ' ' LEU . 1.3 mpt? -63.66 -26.97 68.91 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.397 -0.814 . . . . 0.0 110.23 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.92 -38.45 79.55 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.287 -0.883 . . . . 0.0 109.842 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.2 -32.16 55.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -0.842 . . . . 0.0 109.851 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 51' ' ' LEU . 6.6 mt -81.42 -62.8 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.508 -0.745 . . . . 0.0 109.809 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.394 -0.816 . . . . 0.0 110.305 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.096 0.474 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.6 mt -79.96 130.79 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.369 -0.832 . . . . 0.0 110.16 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -93.94 160.15 14.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.457 -0.777 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.605 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.9 t80 -56.54 -32.7 65.39 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.545 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -62.2 -60.08 4.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.293 -0.879 . . . . 0.0 110.08 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.31 -33.99 75.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.333 -0.854 . . . . 0.0 110.149 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.77 -48.93 79.57 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.414 -0.804 . . . . 0.0 109.987 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.605 HD11 ' CE2' ' A' ' 65' ' ' PHE . 37.6 mt -59.92 -39.82 86.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -0.848 . . . . 0.0 110.0 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.43 61.24 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.428 -0.795 . . . . 0.0 110.061 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.7 mt -62.6 -35.88 80.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.352 -0.843 . . . . 0.0 109.979 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.43 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 74.7 mmm -63.92 -44.35 93.16 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.803 . . . . 0.0 109.975 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.454 -0.779 . . . . 0.0 109.992 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.229 0.538 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.99 -38.94 80.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.276 -0.89 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.48 -32.18 72.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.273 -0.892 . . . . 0.0 110.028 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.88 -45.91 66.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.394 -0.816 . . . . 0.0 109.985 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.57 -28.2 69.47 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.97 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -69.76 -45.38 68.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.46 -0.775 . . . . 0.0 110.06 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.51 72.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.334 -0.854 . . . . 0.0 110.113 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.583 ' HB3' HG21 ' A' ' 137' ' ' ILE . 9.5 m-85 -61.3 -39.84 91.96 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.316 -0.865 . . . . 0.0 110.052 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -63.78 -41.15 98.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.353 -0.842 . . . . 0.0 109.992 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 87' ' ' GLU . 62.4 t -64.7 -31.6 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.438 -0.789 . . . . 0.0 110.031 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE2' HG22 ' A' ' 108' ' ' VAL . 5.8 m-85 -72.18 -32.91 67.27 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.408 -0.808 . . . . 0.0 110.161 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.5 167.68 2.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.33 -0.856 . . . . 0.0 109.985 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.39 -65.31 1.17 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 0.0 110.616 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.84 -78.47 0.11 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.349 -0.844 . . . . 0.0 110.46 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.57 -44.03 0.02 OUTLIER Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.0 124.97 20.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.341 -1.094 . . . . 0.0 110.107 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -72.45 64.35 1.4 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.4 mt -112.87 110.82 21.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.34 -1.094 . . . . 0.0 110.12 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.7 160.22 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.38 -0.825 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.87 160.25 26.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.328 -0.858 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.33 -26.46 18.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.353 -0.842 . . . . 0.0 110.442 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.44 -57.29 6.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.339 -0.851 . . . . 0.0 110.175 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.6 mt-10 -59.72 -26.81 65.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.326 -0.859 . . . . 0.0 110.174 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.854 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.3 tp -71.25 -45.34 63.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 110.127 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -63.95 -38.45 91.13 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.437 -0.789 . . . . 0.0 110.044 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -64.69 -41.76 95.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.318 -0.864 . . . . 0.0 110.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 104' ' ' GLU . 71.3 t -64.15 -41.71 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.305 -0.872 . . . . 0.0 110.025 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.61 -26.95 67.33 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.349 -0.844 . . . . 0.0 110.225 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.4 m -69.01 -45.34 70.76 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.3 -0.875 . . . . 0.0 110.14 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.6 m -61.09 -44.55 97.19 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.281 -0.887 . . . . 0.0 110.111 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.24 -19.89 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.335 -0.853 . . . . 0.0 110.231 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.68 15.99 60.72 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.77 106.34 2.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.23 -1.159 . . . . 0.0 109.928 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.8 63.85 0.46 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.384 -0.822 . . . . 0.0 110.28 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 52.8 mt -97.26 108.99 21.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 110.124 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.1 p -61.31 164.93 4.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.295 -0.878 . . . . 0.0 110.209 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -61.03 -32.38 71.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.447 -0.783 . . . . 0.0 110.2 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.51 97.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -0.875 . . . . 0.0 110.207 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.98 -52.62 40.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.356 -0.84 . . . . 0.0 110.088 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.437 HG12 ' CD1' ' A' ' 125' ' ' LEU . 67.7 t -61.14 -24.71 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.321 -0.862 . . . . 0.0 110.046 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.14 -47.94 39.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.255 -0.903 . . . . 0.0 110.122 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.78 -31.7 69.78 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.499 ' O ' HG23 ' A' ' 128' ' ' VAL . 5.3 ttp -80.04 -24.87 40.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 0.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.437 ' CD1' HG12 ' A' ' 121' ' ' VAL . 11.1 mt -74.08 -44.8 52.74 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 110.429 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -32.15 72.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.341 -0.85 . . . . 0.0 110.456 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -80.13 -20.7 44.38 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.314 -0.866 . . . . 0.0 110.562 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 124' ' ' MET . 72.5 t -103.88 -36.3 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.261 -0.899 . . . . 0.0 110.373 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.0 t -61.2 -82.45 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.295 -0.878 . . . . 0.0 110.391 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 51.12 25.99 2.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.215 -0.928 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.5 -95.1 0.65 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.8 t -146.95 -44.54 0.18 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -1.092 . . . . 0.0 110.323 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -170.03 -38.84 0.03 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.72 132.49 36.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.315 -1.109 . . . . 0.0 110.092 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.468 HG23 HG12 ' A' ' 128' ' ' VAL . 59.5 mt -121.45 157.77 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -0.874 . . . . 0.0 110.068 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -88.13 143.58 26.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.279 -0.888 . . . . 0.0 110.17 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.583 HG21 ' HB3' ' A' ' 89' ' ' PHE . 16.5 pt -78.93 -16.1 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.358 -0.839 . . . . 0.0 110.599 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -64.01 -56.84 12.17 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.209 -0.932 . . . . 0.0 110.426 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -60.43 -44.49 95.72 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.317 -0.864 . . . . 0.0 110.42 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.854 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -62.62 -44.73 95.54 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.48 -29.74 70.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 110.148 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.13 -35.72 36.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.422 -0.799 . . . . 0.0 110.197 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.25 -39.82 94.15 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.427 -0.796 . . . . 0.0 110.228 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.7 mt -75.79 -27.58 58.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.405 -0.81 . . . . 0.0 110.172 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.441 -0.787 . . . . 0.0 110.184 179.902 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.105 0.478 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -61.82 -28.46 69.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.288 -0.882 . . . . 0.0 110.249 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -71.91 -46.01 59.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 110.033 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 24.9 mm-40 -69.84 -40.99 75.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 109.92 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.78 -29.29 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.466 -0.771 . . . . 0.0 109.889 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.12 72.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.345 -0.847 . . . . 0.0 109.891 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.71 -46.9 83.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.472 -0.767 . . . . 0.0 110.076 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 26.1 m-85 -60.82 -38.22 84.7 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.365 -0.834 . . . . 0.0 109.986 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -60.2 -40.2 89.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.387 -0.82 . . . . 0.0 110.065 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.67 -49.57 74.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.393 -0.817 . . . . 0.0 110.067 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.84 64.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.334 -0.853 . . . . 0.0 110.134 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.718 ' CE1' HG23 ' A' ' 27' ' ' ILE . 10.5 t80 -75.02 -34.5 61.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.82 . . . . 0.0 110.149 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -30.08 61.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.376 -0.827 . . . . 0.0 110.065 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 18' ' ' LEU . 22.2 mt -62.8 -29.15 70.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.347 -0.845 . . . . 0.0 110.127 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -111.41 30.89 6.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.361 -0.837 . . . . 0.0 110.242 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.321 -0.862 . . . . 0.0 110.249 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -159.95 134.16 7.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.32 -1.106 . . . . 0.0 110.476 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.718 HG23 ' CE1' ' A' ' 16' ' ' PHE . 40.2 pt -118.54 159.24 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.369 -0.832 . . . . 0.0 110.14 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -81.92 159.42 23.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -64.01 -31.9 73.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.448 -0.782 . . . . 0.0 110.204 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.4 m -59.22 -28.44 66.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.376 -0.828 . . . . 0.0 110.207 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.815 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.3 mt-10 -92.6 -15.82 26.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.423 -0.798 . . . . 0.0 110.507 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 HD13 ' A' ' 55' ' ' ILE . 62.3 tp -55.75 -53.27 58.64 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.177 -0.952 . . . . 0.0 110.338 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.51 74.28 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.341 -0.849 . . . . 0.0 110.181 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.5 m -71.9 -39.92 69.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 0.0 109.993 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 31' ' ' GLU . 96.0 t -62.22 -33.73 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.844 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.0 mtt -74.73 -34.05 62.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 0.0 109.877 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -68.2 -31.55 71.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.446 -0.784 . . . . 0.0 110.083 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 m -79.77 -33.18 40.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.417 -0.802 . . . . 0.0 110.151 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.29 -24.9 68.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.424 -0.797 . . . . 0.0 110.292 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.97 35.22 0.97 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.3 mt -121.86 -178.42 3.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -1.135 . . . . 0.0 110.118 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.64 68.27 0.86 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.333 -0.854 . . . . 0.0 110.108 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.42 137.64 25.9 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 O-C-N 123.667 1.351 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.93 168.42 2.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -59.33 -28.23 66.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.305 -0.872 . . . . 0.0 110.083 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.73 -39.34 70.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.362 -0.836 . . . . 0.0 109.994 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.7 -40.1 88.35 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.382 -0.824 . . . . 0.0 110.022 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.0 -40.81 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.36 -0.838 . . . . 0.0 109.96 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -62.98 -38.71 92.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.364 -0.835 . . . . 0.0 110.074 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.89 -47.57 82.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.437 -0.79 . . . . 0.0 110.023 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 55' ' ' ILE . 9.8 mt -62.13 -45.68 92.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.016 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.5 mtt -66.16 -28.17 68.57 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.37 -0.831 . . . . 0.0 109.819 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -65.99 -40.18 90.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.468 -0.77 . . . . 0.0 109.86 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.429 ' OE1' HD21 ' A' ' 71' ' ' LEU . 9.9 tt0 -72.96 -31.36 64.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 109.981 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.469 HD13 HD22 ' A' ' 32' ' ' LEU . 17.8 mt -85.92 -60.07 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.394 -0.817 . . . . 0.0 109.97 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.379 -0.825 . . . . 0.0 110.206 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.16 0.505 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.8 mt -87.55 122.46 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.274 -0.891 . . . . 0.0 110.271 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.42 160.2 18.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 109.937 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.647 ' CE2' HD11 ' A' ' 69' ' ' LEU . 18.8 t80 -58.05 -25.77 61.63 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.292 -0.88 . . . . 0.0 110.418 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.0 t -72.24 -52.73 15.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.31 -0.869 . . . . 0.0 110.09 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -64.27 -33.03 74.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.432 -0.793 . . . . 0.0 110.003 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -64.45 -50.5 67.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.309 -0.87 . . . . 0.0 110.091 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.647 HD11 ' CE2' ' A' ' 65' ' ' PHE . 47.2 mt -59.79 -34.09 72.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.155 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.11 -47.16 59.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.435 -0.791 . . . . 0.0 110.077 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.429 HD21 ' OE1' ' A' ' 54' ' ' GLU . 4.6 mt -61.72 -39.93 93.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.363 -0.836 . . . . 0.0 110.066 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.445 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 88.0 mmm -65.21 -36.49 84.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 110.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.455 -0.778 . . . . 0.0 110.026 179.686 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.17 0.509 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -58.38 -27.36 64.17 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.331 -0.856 . . . . 0.0 110.144 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.74 -45.0 84.24 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.416 -0.802 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.56 -49.5 70.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.362 -0.836 . . . . 0.0 110.057 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.66 -30.71 70.07 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.341 -0.85 . . . . 0.0 110.019 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.0 tp10 -64.91 -46.88 79.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.491 -0.756 . . . . 0.0 110.089 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.49 93.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.333 -0.854 . . . . 0.0 110.071 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.649 ' HB3' HD13 ' A' ' 137' ' ' ILE . 9.9 m-85 -60.11 -28.82 68.16 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.384 -0.823 . . . . 0.0 110.213 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -73.63 -41.67 62.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.399 -0.813 . . . . 0.0 110.102 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 87' ' ' GLU . 61.2 t -60.47 -39.13 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.4 -0.813 . . . . 0.0 110.097 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD1' HG22 ' A' ' 108' ' ' VAL . 12.2 m-85 -70.69 -25.04 62.79 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.414 -0.803 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -66.74 146.67 54.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.333 -0.854 . . . . 0.0 110.287 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -60.03 -62.83 1.58 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 110.155 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -106.23 -153.05 0.48 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.35 -0.844 . . . . 0.0 110.055 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -90.98 47.56 2.94 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.92 -155.48 0.57 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -1.104 . . . . 0.0 110.162 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.54 55.38 0.61 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.9 mt -140.92 110.31 6.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -1.118 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.37 160.58 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.33 -0.856 . . . . 0.0 110.185 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 t -79.45 160.26 26.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 110.292 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.48 -32.32 49.63 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.422 -0.799 . . . . 0.0 110.494 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.96 65.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.385 -0.822 . . . . 0.0 109.97 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.9 mt-10 -63.19 -34.46 77.69 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.344 -0.848 . . . . 0.0 110.035 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.711 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -66.17 -39.36 89.69 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 0.0 110.139 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -67.36 -38.15 84.34 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.84 . . . . 0.0 110.132 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -69.47 -36.7 76.81 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.402 -0.811 . . . . 0.0 110.157 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 104' ' ' GLU . 80.3 t -67.27 -38.18 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.38 -0.825 . . . . 0.0 110.134 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.0 -37.97 78.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.412 -0.805 . . . . 0.0 110.067 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.5 m -80.03 -29.84 39.39 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.351 -0.843 . . . . 0.0 110.247 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -67.76 -42.68 81.38 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.327 -0.858 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.5 mt -62.24 -29.62 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.29 -0.881 . . . . 0.0 109.949 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.76 30.42 23.82 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.4 164.04 27.23 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.44 -1.035 . . . . 0.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 57.93 4.77 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.329 -0.857 . . . . 0.0 110.174 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.5 mt -131.1 105.63 7.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.409 -0.807 . . . . 0.0 110.174 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.0 p -65.24 -177.72 0.41 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.361 -0.837 . . . . 0.0 110.273 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.63 -34.19 75.31 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.393 -0.817 . . . . 0.0 110.194 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.389 -0.82 . . . . 0.0 110.185 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.53 -51.23 68.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.33 -0.856 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.3 t -61.77 -27.35 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.83 . . . . 0.0 109.9 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.55 -48.02 61.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.494 -0.754 . . . . 0.0 109.981 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.23 -29.19 70.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.381 -0.824 . . . . 0.0 110.029 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.712 ' HG2' HD13 ' A' ' 143' ' ' LEU . 3.3 mtp -79.16 -35.18 42.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.353 -0.842 . . . . 0.0 110.003 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.523 HD21 HD22 ' A' ' 105' ' ' LEU . 2.8 mt -63.23 -39.91 95.95 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.455 -0.778 . . . . 0.0 110.167 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -61.64 -40.41 94.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.299 -0.876 . . . . 0.0 110.154 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.22 -34.84 36.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.445 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 124' ' ' MET . 71.7 t -79.97 -29.48 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.337 -0.852 . . . . 0.0 110.266 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.7 t -61.21 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.343 -0.848 . . . . 0.0 110.18 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -110.19 -29.69 8.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.829 . . . . 0.0 110.16 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -75.04 -106.98 0.1 OUTLIER Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.4 t -164.81 -46.68 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.317 -1.108 . . . . 0.0 110.214 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.43 -72.2 0.51 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -81.95 142.25 32.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.426 -1.044 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.449 HD13 HD23 ' A' ' 125' ' ' LEU . 81.1 mt -105.97 148.93 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.369 -0.832 . . . . 0.0 110.082 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -82.3 120.27 25.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.448 -0.783 . . . . 0.0 110.214 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.649 HD13 ' HB3' ' A' ' 89' ' ' PHE . 7.3 pt -62.66 -17.78 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.259 -0.9 . . . . 0.0 110.431 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -57.38 -46.97 82.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 110.376 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.431 ' HB3' HG13 ' A' ' 128' ' ' VAL . 13.8 mt-30 -69.49 -50.55 44.21 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.885 . . . . 0.0 110.171 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.711 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.67 -37.27 83.46 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.346 -0.846 . . . . 0.0 110.039 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.04 98.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.085 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.15 93.72 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.358 -0.839 . . . . 0.0 110.09 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.712 HD13 ' HG2' ' A' ' 124' ' ' MET . 8.8 mt -63.77 -36.03 82.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.865 . . . . 0.0 110.148 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.3 mt -79.31 -47.97 14.92 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.416 -0.803 . . . . 0.0 110.275 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.347 -0.846 . . . . 0.0 110.16 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.239 0.542 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.18 -40.07 92.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.31 -0.869 . . . . 0.0 110.232 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -62.21 -47.05 86.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.305 -0.872 . . . . 0.0 110.018 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.406 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 15.3 mm-40 -66.13 -44.97 82.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.441 -0.787 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.19 -29.82 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.406 -0.809 . . . . 0.0 109.95 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.8 83.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.802 . . . . 0.0 109.958 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -48.32 74.3 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.468 -0.77 . . . . 0.0 110.068 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.4 m-85 -61.91 -37.3 84.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.365 -0.835 . . . . 0.0 110.024 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -60.51 -40.63 92.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.427 -0.796 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.51 -49.29 71.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.386 -0.821 . . . . 0.0 110.233 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.56 -33.69 71.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.334 -0.854 . . . . 0.0 110.31 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -71.22 -39.92 71.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.262 -0.899 . . . . 0.0 110.264 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.66 -28.48 64.82 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.433 -0.792 . . . . 0.0 110.262 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.3 -32.65 73.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.349 -0.845 . . . . 0.0 110.248 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -106.54 26.94 9.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.328 -0.857 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.9 p -125.45 155.8 39.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.381 -1.07 . . . . 0.0 110.202 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.6 pt -126.72 158.05 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.388 -0.82 . . . . 0.0 110.171 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 m -81.81 159.93 23.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.247 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -40.04 93.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.352 -0.843 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -25.99 35.2 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.352 -0.843 . . . . 0.0 110.397 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.822 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.4 mt-10 -94.45 -17.23 22.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.339 -0.851 . . . . 0.0 110.448 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.66 -50.27 73.71 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.194 -0.941 . . . . 0.0 110.451 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.46 85.59 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.3 m -66.85 -38.79 87.04 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.389 -0.819 . . . . 0.0 110.064 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 31' ' ' GLU . 80.3 t -61.66 -38.27 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.387 -0.821 . . . . 0.0 109.933 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.2 mtt -68.47 -36.08 78.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.42 -0.8 . . . . 0.0 109.979 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -66.92 -32.12 73.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.458 -0.776 . . . . 0.0 110.051 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 m -79.47 -35.07 40.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.119 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.43 -26.31 67.91 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.261 -0.899 . . . . 0.0 110.096 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.47 34.78 0.98 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.4 mt -119.66 179.67 4.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.351 -1.088 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -167.52 68.18 0.87 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.37 -0.831 . . . . 0.0 110.252 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.46 138.49 27.17 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.741 1.39 . . . . 0.0 110.346 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -60.37 167.96 2.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.324 -0.86 . . . . 0.0 110.223 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.84 -26.89 64.6 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.289 -0.882 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.64 -41.13 65.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.408 -0.807 . . . . 0.0 110.161 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' HD13 ' A' ' 51' ' ' LEU . 4.1 mt-10 -65.38 -37.28 86.54 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.387 -0.82 . . . . 0.0 110.066 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.03 -45.47 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.414 -0.804 . . . . 0.0 109.913 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.98 -39.09 90.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.449 -0.782 . . . . 0.0 110.028 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -63.19 -46.16 88.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 47' ' ' GLU . 3.1 mp -61.96 -45.91 91.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.393 -0.817 . . . . 0.0 110.119 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.7 mtt -65.11 -29.13 69.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.377 -0.827 . . . . 0.0 109.902 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -65.33 -42.57 92.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.496 -0.753 . . . . 0.0 110.052 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.71 -44.95 72.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.385 -0.822 . . . . 0.0 109.801 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.42 HD13 HD11 ' A' ' 63' ' ' ILE . 12.8 mt -65.57 -61.04 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.489 -0.757 . . . . 0.0 109.772 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 t0 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.383 -0.823 . . . . 0.0 110.211 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.151 0.5 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.42 HD11 HD13 ' A' ' 55' ' ' ILE . 73.3 mt -79.99 116.46 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.28 -0.887 . . . . 0.0 110.294 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -85.07 160.24 20.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.366 -0.834 . . . . 0.0 110.032 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.681 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.8 t80 -56.34 -26.18 51.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.317 -0.865 . . . . 0.0 110.362 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -50.44 23.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -0.856 . . . . 0.0 109.991 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.57 -34.76 78.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.378 -0.826 . . . . 0.0 110.077 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.89 -51.68 60.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.124 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.681 HD11 ' CE2' ' A' ' 65' ' ' PHE . 42.2 mt -56.32 -38.18 70.95 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.351 -0.843 . . . . 0.0 110.115 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.83 73.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.954 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -62.61 -41.49 99.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.429 -0.795 . . . . 0.0 110.072 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.1 mmm -64.9 -30.6 71.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.092 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.417 -0.802 . . . . 0.0 110.2 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 86' ' ' LEU . 16.8 pt-20 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 121.21 0.529 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.8 -39.44 94.26 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.075 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.46 -48.03 83.01 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.392 -0.817 . . . . 0.0 110.125 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -45.92 90.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.317 -0.864 . . . . 0.0 110.018 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 82' ' ' GLU . 16.2 mt -63.79 -27.91 69.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.322 -0.861 . . . . 0.0 110.02 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.58 -46.34 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.427 -0.795 . . . . 0.0 110.063 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.95 -48.19 82.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.367 -0.833 . . . . 0.0 110.133 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.731 ' HB3' HD13 ' A' ' 137' ' ' ILE . 12.2 m-85 -60.92 -28.57 69.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.399 -0.813 . . . . 0.0 110.132 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -70.59 -42.58 70.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.817 . . . . 0.0 110.051 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.42 -39.78 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.838 . . . . 0.0 110.102 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.592 ' CD2' HG22 ' A' ' 108' ' ' VAL . 9.2 m-85 -67.02 -29.83 69.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.338 -0.851 . . . . 0.0 110.214 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -79.58 129.45 34.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.836 . . . . 0.0 110.194 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.42 -27.0 10.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.389 -0.819 . . . . 0.0 110.214 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.86 -33.76 72.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 0.0 110.242 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.01 35.74 6.25 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.654 ' HB3' HD12 ' A' ' 99' ' ' LEU . 2.6 m-20 -130.48 6.98 4.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.336 -1.096 . . . . 0.0 110.593 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 61.54 38.76 96.34 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.654 HD12 ' HB3' ' A' ' 97' ' ' ASP . 12.4 mt -128.72 113.81 15.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.419 -1.048 . . . . 0.0 110.23 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 pt -127.43 160.27 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m -79.7 160.45 26.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.85 . . . . 0.0 110.196 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.13 -35.08 33.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.44 -0.787 . . . . 0.0 110.56 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.6 85.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.368 -0.833 . . . . 0.0 110.004 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.834 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.6 mt-10 -64.51 -38.07 89.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.386 -0.821 . . . . 0.0 109.847 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.831 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.6 tp -61.24 -38.81 88.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 0.0 110.065 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -69.23 -40.64 77.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.421 -0.799 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -67.15 -27.4 67.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.4 -0.812 . . . . 0.0 110.187 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 104' ' ' GLU . 89.0 t -75.09 -47.17 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.347 -0.846 . . . . 0.0 110.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 105' ' ' LEU . 9.6 mt -63.2 -28.98 70.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.141 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.7 m -80.04 -31.87 39.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 0.0 110.214 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.96 -38.97 66.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.296 -0.877 . . . . 0.0 110.179 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.11 -26.78 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.36 -0.837 . . . . 0.0 110.082 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.32 31.03 32.07 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.26 161.73 30.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.377 -1.072 . . . . 0.0 110.263 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.7 60.58 5.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.845 . . . . 0.0 110.16 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 116' ' ' LEU . 81.6 mt -135.53 118.52 16.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.4 p -81.78 -178.22 6.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 0.0 110.105 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -27.94 69.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.331 -0.856 . . . . 0.0 110.152 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.32 -43.97 84.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.331 -0.855 . . . . 0.0 110.078 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.63 -48.59 76.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.0 110.121 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.561 HG12 HD12 ' A' ' 125' ' ' LEU . 73.7 t -61.09 -30.83 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.372 -0.83 . . . . 0.0 109.901 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.24 -47.31 80.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.376 -0.827 . . . . 0.0 109.981 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.35 -30.33 71.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.377 -0.827 . . . . 0.0 109.892 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.542 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 1.1 ttp -80.13 -34.4 37.8 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.42 -0.8 . . . . 0.0 109.995 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.561 HD12 HG12 ' A' ' 121' ' ' VAL . 2.0 mt -64.04 -37.07 86.08 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.435 -0.791 . . . . 0.0 110.218 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -66.19 -31.18 71.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.366 -0.834 . . . . 0.0 110.226 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -80.05 -32.6 39.4 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.419 -0.8 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.631 HG12 HG23 ' A' ' 135' ' ' ILE . 62.9 t -90.46 -26.77 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.309 -0.87 . . . . 0.0 110.309 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.3 p -61.66 117.38 5.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.279 -0.888 . . . . 0.0 110.198 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.02 -29.1 11.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.431 -0.793 . . . . 0.0 110.19 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 110.68 39.56 1.43 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.97 -57.01 2.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.34 -1.094 . . . . 0.0 110.208 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 160.08 -50.06 0.38 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -114.21 152.13 31.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.438 -1.037 . . . . 0.0 110.184 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.631 HG23 HG12 ' A' ' 128' ' ' VAL . 80.8 mt -105.93 143.66 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 110.065 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.35 125.12 32.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.369 -0.832 . . . . 0.0 110.19 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.731 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.9 pt -64.75 -18.6 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.385 -0.822 . . . . 0.0 110.468 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -59.55 -41.94 91.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.115 -0.99 . . . . 0.0 110.198 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.72 -46.12 48.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.311 -0.868 . . . . 0.0 110.089 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.831 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.94 -45.42 85.87 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.372 -0.83 . . . . 0.0 110.018 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.32 -31.97 73.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.392 -0.817 . . . . 0.0 110.064 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.79 62.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.392 -0.817 . . . . 0.0 110.197 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.486 HD13 ' CG ' ' A' ' 124' ' ' MET . 5.3 mt -68.57 -35.98 78.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.184 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.91 -29.04 39.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 110.251 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.428 -0.795 . . . . 0.0 110.249 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.239 0.542 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.16 -34.15 75.86 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 110.168 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.9 -46.06 76.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.076 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.51 -42.99 86.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.325 -0.86 . . . . 0.0 110.096 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -66.1 -33.41 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.447 -0.783 . . . . 0.0 109.909 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -33.44 74.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.364 -0.835 . . . . 0.0 109.944 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -68.0 -49.21 62.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.077 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.442 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 27.2 m-85 -61.52 -36.09 79.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.333 -0.854 . . . . 0.0 110.028 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 13.5 ttmt -62.22 -42.01 98.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.348 -0.845 . . . . 0.0 110.185 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.95 -51.91 66.17 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -0.886 . . . . 0.0 110.135 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.86 85.46 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.324 -0.86 . . . . 0.0 110.157 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -67.13 -40.05 86.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.323 -0.861 . . . . 0.0 110.276 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.64 -27.75 65.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.364 -0.835 . . . . 0.0 110.221 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -63.34 -34.69 78.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.229 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 27' ' ' ILE . 85.3 m-85 -107.36 27.98 8.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.29 -0.881 . . . . 0.0 110.217 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.397 -0.814 . . . . 0.0 110.155 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -149.64 140.57 22.85 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.372 -1.075 . . . . 0.0 110.198 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 19' ' ' PHE . 40.1 pt -128.1 157.5 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.399 -0.813 . . . . 0.0 110.231 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.86 160.17 18.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.425 -0.797 . . . . 0.0 110.32 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -36.32 72.28 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.366 -0.834 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -57.02 -27.18 61.4 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.385 -0.822 . . . . 0.0 110.333 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 35' ' ' VAL . 23.3 mt-10 -98.78 -17.98 18.2 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.31 -0.868 . . . . 0.0 110.358 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.663 HD22 ' CD1' ' A' ' 63' ' ' ILE . 44.9 tp -57.17 -48.48 78.63 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.321 -0.862 . . . . 0.0 110.375 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.24 80.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.311 -0.868 . . . . 0.0 110.205 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.8 m -68.14 -37.87 81.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.9 t -61.33 -36.05 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.36 -0.837 . . . . 0.0 109.91 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.8 mtt -73.62 -37.5 65.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.865 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.35 -30.39 70.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.421 -0.799 . . . . 0.0 110.115 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -33.87 38.94 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.379 -0.825 . . . . 0.0 110.16 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.29 -27.96 66.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.343 -0.848 . . . . 0.0 110.215 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.96 39.86 0.4 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -126.33 177.81 6.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.291 -1.123 . . . . 0.0 110.095 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p -167.47 67.22 0.84 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.389 -0.82 . . . . 0.0 110.189 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.5 137.56 25.57 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 O-C-N 123.857 1.451 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.2 m -66.29 174.43 2.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.294 -0.879 . . . . 0.0 110.133 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -59.49 -28.49 67.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.278 -0.889 . . . . 0.0 110.11 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.68 69.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.372 -0.83 . . . . 0.0 110.021 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -68.64 -36.11 78.17 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.094 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 44' ' ' SER . 60.6 t -68.04 -39.4 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.366 -0.834 . . . . 0.0 109.936 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -63.84 -40.01 95.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.432 -0.792 . . . . 0.0 109.969 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.48 -47.06 87.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.378 -0.826 . . . . 0.0 110.056 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 55' ' ' ILE . 20.6 mt -63.31 -46.87 84.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.337 -0.852 . . . . 0.0 109.999 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.2 mtt -66.85 -28.28 68.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.398 -0.814 . . . . 0.0 109.917 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -67.02 -36.21 81.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.433 -0.792 . . . . 0.0 109.935 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -79.39 -30.36 42.42 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.445 -0.784 . . . . 0.0 109.95 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 51' ' ' LEU . 10.6 mt -88.51 -64.41 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.47 -0.769 . . . . 0.0 109.944 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.343 -0.848 . . . . 0.0 110.267 -179.905 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.153 0.501 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.663 ' CD1' HD22 ' A' ' 32' ' ' LEU . 84.0 mt -80.05 133.63 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.388 -0.82 . . . . 0.0 110.199 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.49 160.16 14.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.417 -0.802 . . . . 0.0 110.029 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.716 ' CE2' HD11 ' A' ' 69' ' ' LEU . 17.6 t80 -56.97 -36.36 70.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.873 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.3 p -62.54 -55.86 23.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.399 -0.813 . . . . 0.0 110.011 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.49 -29.4 70.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 0.0 110.044 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -68.66 -47.62 66.05 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.306 -0.871 . . . . 0.0 110.06 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.716 HD11 ' CE2' ' A' ' 65' ' ' PHE . 42.2 mt -59.56 -37.76 79.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.425 -0.797 . . . . 0.0 110.001 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.37 -45.34 76.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.407 -0.808 . . . . 0.0 110.014 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.19 -42.11 98.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.395 -0.816 . . . . 0.0 110.037 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.442 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 93.4 mmm -62.05 -39.41 92.28 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.386 -0.822 . . . . 0.0 110.028 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.389 -0.82 . . . . 0.0 110.057 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' HG2' HD11 ' A' ' 86' ' ' LEU . 39.6 tt0 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.155 0.503 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -51.88 -43.9 63.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.43 -0.794 . . . . 0.0 110.471 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.94 -43.31 96.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.353 -0.842 . . . . 0.0 110.07 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -37.09 83.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.334 -0.854 . . . . 0.0 110.119 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.401 HD11 ' HG2' ' A' ' 82' ' ' GLU . 77.8 mt -63.25 -32.97 74.52 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.408 -0.808 . . . . 0.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.35 -46.37 55.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.392 -0.817 . . . . 0.0 110.136 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.3 93.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 110.202 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.658 ' CE1' HG11 ' A' ' 108' ' ' VAL . 9.6 m-85 -61.95 -35.65 79.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.341 -0.85 . . . . 0.0 110.175 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -62.96 -43.2 99.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 110.186 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.64 -32.15 56.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.411 -0.805 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.445 ' CD2' HG22 ' A' ' 108' ' ' VAL . 6.7 m-85 -73.46 -28.0 61.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.402 -0.811 . . . . 0.0 110.141 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' ASN . 11.6 t70 -74.36 -29.66 61.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.361 -0.837 . . . . 0.0 110.2 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.15 -69.94 0.09 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.506 -0.746 . . . . 0.0 110.522 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' ASP . 24.1 t-20 -53.58 -37.98 63.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.187 -0.945 . . . . 0.0 110.417 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.55 43.06 4.35 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.46 -28.39 11.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.341 -1.094 . . . . 0.0 110.161 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.86 32.98 7.25 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 134' ' ' GLU . 6.5 mt -143.52 134.03 24.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.42 -1.047 . . . . 0.0 110.153 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.405 HG23 ' C ' ' A' ' 99' ' ' LEU . 46.7 pt -146.34 160.22 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.406 -0.809 . . . . 0.0 110.253 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.9 m -79.78 160.36 26.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.385 -0.822 . . . . 0.0 110.189 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.24 -27.42 14.8 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.37 -0.831 . . . . 0.0 110.428 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.83 39.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.366 -0.834 . . . . 0.0 110.032 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.9 mt-10 -62.96 -37.5 87.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 109.93 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.78 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -66.26 -39.25 89.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.382 -0.824 . . . . 0.0 110.086 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -65.47 -39.9 92.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.333 -0.855 . . . . 0.0 110.096 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -67.4 -31.83 72.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.326 -0.859 . . . . 0.0 110.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 104' ' ' GLU . 68.0 t -70.78 -42.98 77.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.368 -0.833 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -29.96 70.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.414 -0.803 . . . . 0.0 110.166 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.7 m -78.47 -43.19 27.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.267 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -44.03 97.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.332 -0.855 . . . . 0.0 110.176 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.31 -25.18 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.4 -0.812 . . . . 0.0 110.173 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.49 36.73 58.82 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 169.79 1.44 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.406 -1.055 . . . . 0.0 110.235 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 47.61 1.35 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.355 -0.841 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.481 HD11 HD22 ' A' ' 144' ' ' LEU . 84.6 mt -124.77 159.3 31.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.417 -0.802 . . . . 0.0 110.228 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 12.8 p -122.73 -171.73 2.34 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.364 -0.835 . . . . 0.0 110.186 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.04 -37.47 85.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.402 -0.811 . . . . 0.0 110.128 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.32 99.09 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.322 -0.861 . . . . 0.0 110.099 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.454 ' HB3' HD22 ' A' ' 116' ' ' LEU . 7.0 mm-40 -66.83 -49.45 65.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.391 -0.818 . . . . 0.0 110.064 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -65.06 -28.93 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.364 -0.835 . . . . 0.0 109.998 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.56 -41.92 75.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.349 -0.844 . . . . 0.0 109.97 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.61 -30.82 67.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.855 . . . . 0.0 109.949 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.484 ' O ' HG23 ' A' ' 128' ' ' VAL . 4.5 mtp -75.71 -38.41 58.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 110.053 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.69 -35.27 79.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.353 -0.842 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -67.09 -42.13 85.13 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.368 -0.832 . . . . 0.0 110.136 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -29.98 38.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.351 -0.843 . . . . 0.0 110.215 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 124' ' ' MET . 85.7 t -89.75 -62.15 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.166 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.01 97.49 0.17 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.223 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -163.72 30.16 0.08 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.446 -0.784 . . . . 0.0 110.204 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -122.89 -89.31 0.92 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.2 m -116.56 -35.87 4.12 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.35 -1.088 . . . . 0.0 110.234 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 150.29 -37.37 0.92 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.518 ' HB3' HD22 ' A' ' 99' ' ' LEU . 7.1 mm-40 -82.08 113.7 20.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.414 -1.051 . . . . 0.0 110.187 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 84.8 mt -91.14 141.29 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.121 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -86.33 138.49 31.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -0.847 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 89' ' ' PHE . 18.1 pt -67.58 -21.3 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.445 -0.785 . . . . 0.0 110.411 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -59.92 -52.83 63.76 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.211 -0.93 . . . . 0.0 110.291 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -63.29 -49.88 72.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.339 -0.851 . . . . 0.0 110.204 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.78 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -60.91 -45.82 93.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.339 -0.851 . . . . 0.0 110.176 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.75 71.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.857 . . . . 0.0 110.16 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.02 -32.71 39.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.322 -0.861 . . . . 0.0 110.125 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.38 -40.11 95.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.348 -0.845 . . . . 0.0 110.159 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 116' ' ' LEU . 88.1 mt -74.03 -67.8 0.58 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.42 -0.8 . . . . 0.0 110.097 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.8 t . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.41 -0.806 . . . . 0.0 110.677 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.419 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.28 0.562 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -52.42 -50.17 63.09 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.709 0.766 . . . . 0.0 109.785 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 14.1 pt-20 -54.38 -42.65 70.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.724 -0.61 . . . . 0.0 110.594 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 64.7 mt-30 -70.45 -42.71 71.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 109.982 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.1 mt -66.15 -29.47 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.419 -0.801 . . . . 0.0 109.854 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.36 -39.23 71.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.415 -0.803 . . . . 0.0 109.988 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -63.54 -47.3 82.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.424 -0.797 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 26.4 m-85 -61.11 -39.62 90.68 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.381 -0.824 . . . . 0.0 110.089 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -59.09 -40.47 85.37 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.425 -0.797 . . . . 0.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -62.3 -51.54 67.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.423 -0.798 . . . . 0.0 110.038 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -25.67 63.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.885 . . . . 0.0 110.154 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' CE1' HG23 ' A' ' 27' ' ' ILE . 18.9 t80 -78.64 -33.25 47.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.332 -0.855 . . . . 0.0 110.161 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.76 -28.53 55.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.386 -0.821 . . . . 0.0 110.248 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.38 -28.09 69.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.197 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -114.91 32.82 5.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.367 -0.833 . . . . 0.0 110.153 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.384 -0.823 . . . . 0.0 110.115 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -139.26 149.64 44.53 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.307 -1.114 . . . . 0.0 110.151 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.405 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.7 pt -125.36 159.48 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.369 -0.832 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -81.51 157.0 25.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.373 -0.83 . . . . 0.0 110.173 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -62.26 -29.14 70.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.307 -0.87 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -62.75 -33.83 75.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.412 -0.805 . . . . 0.0 110.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.784 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.7 mt-10 -86.23 -17.19 35.44 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.348 -0.845 . . . . 0.0 110.375 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -53.47 -50.33 65.54 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.909 . . . . 0.0 110.37 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.78 84.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.326 -0.859 . . . . 0.0 110.098 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.6 m -68.48 -37.13 79.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.0 110.021 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 31' ' ' GLU . 65.9 t -62.42 -37.96 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.296 -0.878 . . . . 0.0 109.925 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.6 mtt -70.52 -35.89 73.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 109.947 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -65.67 -37.93 87.89 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.498 -0.751 . . . . 0.0 110.142 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -79.97 -28.75 39.54 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.108 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.2 mt -72.13 -23.56 61.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.358 -0.839 . . . . 0.0 110.313 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.97 33.53 1.14 Allowed Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.6 mt -124.2 172.24 9.21 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -1.131 . . . . 0.0 110.152 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -163.55 63.89 1.27 Allowed Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.346 -0.846 . . . . 0.0 110.215 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.36 138.06 26.74 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.81 1.426 . . . . 0.0 110.423 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -61.13 170.75 1.52 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.37 -0.831 . . . . 0.0 110.039 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -27.97 68.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.359 -0.838 . . . . 0.0 110.107 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.03 79.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.441 -0.787 . . . . 0.0 110.041 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -67.1 -38.84 86.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.832 . . . . 0.0 109.974 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 44' ' ' SER . 57.7 t -66.23 -38.3 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.386 -0.821 . . . . 0.0 109.91 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -34.15 77.38 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.381 -0.824 . . . . 0.0 109.974 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.25 -47.7 72.9 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.365 -0.834 . . . . 0.0 110.048 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.49 -39.9 95.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.374 -0.829 . . . . 0.0 109.978 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mtt -69.63 -27.64 65.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.426 -0.796 . . . . 0.0 109.993 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.43 -40.01 77.51 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.515 -0.74 . . . . 0.0 110.036 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -74.5 -30.96 62.01 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.371 -0.83 . . . . 0.0 109.86 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.37 -60.84 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.411 -0.806 . . . . 0.0 109.884 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t0 . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.399 -0.813 . . . . 0.0 110.238 -179.83 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.209 0.528 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.4 mt -79.86 124.6 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.226 -0.921 . . . . 0.0 110.189 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -87.68 160.11 18.25 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.326 -0.858 . . . . 0.0 110.148 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.722 ' CE2' HD11 ' A' ' 69' ' ' LEU . 15.7 t80 -58.3 -24.65 60.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.39 -0.819 . . . . 0.0 110.395 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.7 t -73.73 -51.27 17.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 71' ' ' LEU . 9.7 mm-40 -65.89 -30.53 71.15 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.222 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -69.67 -47.97 61.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.374 -0.829 . . . . 0.0 110.123 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.722 HD11 ' CE2' ' A' ' 65' ' ' PHE . 49.2 mt -60.06 -36.08 76.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.203 -0.936 . . . . 0.0 110.09 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.52 -47.42 48.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 0.0 110.089 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 67' ' ' GLU . 13.4 mt -60.94 -34.33 74.55 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.4 -0.813 . . . . 0.0 110.08 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.0 mmm -70.62 -36.44 73.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.83 . . . . 0.0 110.072 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.402 -0.811 . . . . 0.0 110.145 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.217 0.532 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.552 ' HA ' HD12 ' A' ' 86' ' ' LEU . 1.8 mm-40 -52.65 -42.06 64.35 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.324 -0.86 . . . . 0.0 110.401 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.355 -0.841 . . . . 0.0 110.148 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.82 -37.91 87.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.477 -0.765 . . . . 0.0 110.16 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 83' ' ' GLN . 36.8 mt -63.06 -36.3 83.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.383 -0.823 . . . . 0.0 110.218 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -67.4 -46.78 72.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.433 -0.792 . . . . 0.0 110.158 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.05 99.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.364 -0.835 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CD1' HG22 ' A' ' 137' ' ' ILE . 3.3 m-85 -61.02 -37.34 82.23 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.285 -0.885 . . . . 0.0 110.218 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -65.64 -40.49 92.56 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.353 -0.842 . . . . 0.0 110.173 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.27 -31.21 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.299 -0.876 . . . . 0.0 110.115 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CE2' HG22 ' A' ' 108' ' ' VAL . 6.3 m-85 -76.64 -27.61 55.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.329 -0.857 . . . . 0.0 110.232 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.26 162.71 25.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.412 -0.805 . . . . 0.0 110.152 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 96' ' ' GLY . 4.5 tptt -114.54 146.21 41.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.375 -0.828 . . . . 0.0 110.183 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 65.51 -68.3 0.12 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.491 -0.756 . . . . 0.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 148.8 61.05 0.01 OUTLIER Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -108.0 -28.26 9.67 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -1.042 . . . . 0.0 110.237 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.33 29.88 59.48 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.6 mt -130.96 108.06 9.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.376 -1.073 . . . . 0.0 110.16 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 pt -116.89 160.22 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.327 -0.858 . . . . 0.0 110.174 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 m -79.79 160.22 26.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.841 . . . . 0.0 110.22 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.35 -33.01 51.83 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.374 -0.829 . . . . 0.0 110.451 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.06 -53.27 52.4 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.261 -0.899 . . . . 0.0 110.099 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.775 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.2 mt-10 -60.53 -29.23 68.99 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.373 -0.83 . . . . 0.0 110.095 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.804 HD22 HD21 ' A' ' 125' ' ' LEU . 1.3 tp -67.18 -44.85 78.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.419 -0.801 . . . . 0.0 110.188 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -65.65 -40.6 92.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.426 -0.796 . . . . 0.0 110.16 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -63.22 -31.49 72.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.381 -0.824 . . . . 0.0 110.232 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 104' ' ' GLU . 72.5 t -77.76 -44.74 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.337 -0.852 . . . . 0.0 110.125 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -28.96 66.16 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.394 -0.816 . . . . 0.0 110.225 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.5 m -80.27 -37.1 33.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.329 -0.857 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.6 m -62.45 -40.13 95.6 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.403 -0.811 . . . . 0.0 110.175 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 63.1 mt -64.24 -27.12 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.347 -0.846 . . . . 0.0 110.103 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.84 32.83 52.64 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.69 -178.86 0.6 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.339 -1.095 . . . . 0.0 110.136 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.0 37.04 1.7 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.362 -0.836 . . . . 0.0 110.214 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.716 HD11 HD22 ' A' ' 144' ' ' LEU . 6.6 mt -101.65 101.36 11.87 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.4 p -61.14 177.25 0.36 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.369 -0.832 . . . . 0.0 110.143 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.91 -29.84 69.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.365 -0.834 . . . . 0.0 110.172 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.58 89.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.376 -0.827 . . . . 0.0 110.299 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.625 ' OE1' HD23 ' A' ' 116' ' ' LEU . 30.5 mt-10 -61.6 -47.74 84.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.4 -0.813 . . . . 0.0 110.228 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 125' ' ' LEU . 60.9 t -63.28 -31.97 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.388 -0.82 . . . . 0.0 110.126 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -43.34 78.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.38 -0.825 . . . . 0.0 110.166 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.63 -28.26 63.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.204 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.47 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 2.8 mtp -79.94 -29.99 39.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.377 -0.827 . . . . 0.0 110.158 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.804 HD21 HD22 ' A' ' 105' ' ' LEU . 22.7 mt -73.76 -39.53 64.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 110.26 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -65.73 -30.84 71.56 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.352 -0.843 . . . . 0.0 110.164 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.98 -32.79 39.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.149 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.779 ' CG1' HG23 ' A' ' 135' ' ' ILE . 61.5 t -94.06 -59.88 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.353 -0.842 . . . . 0.0 110.101 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 t -61.87 120.6 11.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.329 -0.857 . . . . 0.0 110.189 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -160.72 65.83 0.31 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.419 -0.801 . . . . 0.0 110.199 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 179.34 -91.43 0.08 OUTLIER Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.1 t -110.24 -26.59 9.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -1.11 . . . . 0.0 110.291 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 132.62 -8.31 5.26 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -79.77 103.17 9.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.186 -1.185 . . . . 0.0 110.212 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.779 HG23 ' CG1' ' A' ' 128' ' ' VAL . 13.7 mt -95.1 150.33 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.341 -0.849 . . . . 0.0 110.13 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.63 146.07 25.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.336 -0.852 . . . . 0.0 110.135 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.571 HG22 ' CD1' ' A' ' 89' ' ' PHE . 3.0 pt -78.73 -18.27 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -0.832 . . . . 0.0 110.505 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -71.51 -49.74 38.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.268 -0.895 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -62.3 -45.7 92.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 110.206 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.757 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -65.84 -41.72 91.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.37 -0.831 . . . . 0.0 110.119 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.99 -29.34 70.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.383 -0.823 . . . . 0.0 110.132 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.71 -33.92 52.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 110.07 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.61 -35.24 79.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.403 -0.811 . . . . 0.0 110.099 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 116' ' ' LEU . 89.0 mt -72.38 -29.04 63.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 110.216 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.355 -0.84 . . . . 0.0 110.222 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.11 0.481 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -61.22 -36.69 80.63 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.354 -0.841 . . . . 0.0 110.15 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.4 -48.69 74.45 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 109.916 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -65.6 -44.98 84.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.377 -0.827 . . . . 0.0 109.93 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.95 -29.74 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.384 -0.823 . . . . 0.0 109.824 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.25 85.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 0.0 109.907 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.51 -50.39 72.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.435 -0.79 . . . . 0.0 109.979 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -58.6 -37.61 76.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.341 -0.85 . . . . 0.0 110.101 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 12.2 ttmt -63.53 -37.68 88.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.429 -0.794 . . . . 0.0 110.184 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -61.9 -53.54 54.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.344 -0.848 . . . . 0.0 110.153 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.44 -33.83 75.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.336 -0.852 . . . . 0.0 110.068 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.5 -35.52 75.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.349 -0.844 . . . . 0.0 110.193 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.43 -27.39 60.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.351 -0.843 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.5 -46.6 86.37 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -87.48 -26.65 23.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.393 -0.817 . . . . 0.0 110.201 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 0.0 110.155 179.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -144.73 144.59 31.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -1.088 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.0 pt -126.21 155.53 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.427 -0.796 . . . . 0.0 110.169 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -81.01 160.1 24.66 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.401 -0.812 . . . . 0.0 110.277 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -38.25 82.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.401 -0.812 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -25.58 42.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.387 -0.821 . . . . 0.0 110.431 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.765 ' O ' HG23 ' A' ' 35' ' ' VAL . 21.5 mt-10 -97.27 -17.66 19.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.331 -0.856 . . . . 0.0 110.374 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.544 HD22 ' CD1' ' A' ' 63' ' ' ILE . 53.4 tp -56.56 -51.41 68.7 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.282 -0.886 . . . . 0.0 110.449 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.79 -37.97 77.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.327 -0.858 . . . . 0.0 110.122 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.5 m -67.28 -38.32 84.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -0.83 . . . . 0.0 109.887 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 31' ' ' GLU . 99.6 t -59.75 -40.77 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.384 -0.823 . . . . 0.0 109.914 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.3 mtt -67.97 -35.75 78.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.389 -0.819 . . . . 0.0 109.824 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -68.07 -37.58 81.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.401 -0.812 . . . . 0.0 110.195 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 m -78.45 -33.06 48.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.89 . . . . 0.0 110.203 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.523 HD13 ' HE1' ' A' ' 72' ' ' MET . 4.9 mt -69.29 -27.22 65.22 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.386 -0.821 . . . . 0.0 110.209 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.17 33.91 1.19 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -117.69 176.09 5.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.343 -1.092 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 m -164.97 70.55 1.42 Allowed Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.385 -0.822 . . . . 0.0 109.954 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.9 140.27 34.76 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.749 1.394 . . . . 0.0 110.432 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -58.16 161.69 4.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.315 -0.865 . . . . 0.0 110.135 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -57.17 -27.96 62.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.31 -0.869 . . . . 0.0 110.03 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.93 -38.1 66.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 109.915 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.01 -36.91 84.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.351 -0.843 . . . . 0.0 109.92 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.31 -48.1 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.44 -0.788 . . . . 0.0 109.93 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -62.76 -41.63 99.31 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.402 -0.811 . . . . 0.0 109.968 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.59 -42.34 95.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.41 -0.806 . . . . 0.0 110.019 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 55' ' ' ILE . 41.8 mt -63.19 -43.2 98.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 109.857 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 mtt -67.91 -28.75 67.77 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.455 -0.778 . . . . 0.0 109.9 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -39.46 87.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.484 -0.76 . . . . 0.0 110.001 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -73.45 -31.29 63.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.413 -0.805 . . . . 0.0 109.793 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 51' ' ' LEU . 13.6 mt -85.55 -61.49 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.546 -0.721 . . . . 0.0 109.809 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.84 . . . . 0.0 110.197 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.112 0.482 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.544 ' CD1' HD22 ' A' ' 32' ' ' LEU . 75.1 mt -79.82 126.29 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.356 -0.84 . . . . 0.0 110.175 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -88.09 160.12 17.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.424 -0.797 . . . . 0.0 110.134 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.703 ' CE2' HD11 ' A' ' 69' ' ' LEU . 19.8 t80 -57.13 -26.04 59.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.36 -0.837 . . . . 0.0 110.334 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.5 p -71.8 -54.86 8.83 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.336 -0.852 . . . . 0.0 110.05 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -63.32 -30.44 71.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.385 -0.822 . . . . 0.0 110.252 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -70.16 -44.96 67.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 110.081 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.703 HD11 ' CE2' ' A' ' 65' ' ' PHE . 45.9 mt -60.24 -38.03 82.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 110.041 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.83 -49.86 54.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.393 -0.817 . . . . 0.0 110.014 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.02 -38.58 83.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.341 -0.849 . . . . 0.0 110.082 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.523 ' HE1' HD13 ' A' ' 39' ' ' LEU . 84.2 mmm -63.22 -40.32 97.12 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.329 -0.857 . . . . 0.0 110.165 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.31 -0.869 . . . . 0.0 110.207 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.216 0.531 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -59.75 -24.71 64.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.306 -0.871 . . . . 0.0 110.231 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.28 -41.01 70.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.0 110.143 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -43.27 74.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -0.885 . . . . 0.0 110.141 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 mt -66.54 -28.93 68.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.046 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -43.43 71.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.375 -0.828 . . . . 0.0 110.175 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.09 -48.81 77.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.26 -0.9 . . . . 0.0 110.222 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.711 ' HB3' HD13 ' A' ' 137' ' ' ILE . 17.4 m-85 -62.32 -28.72 69.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.431 -0.793 . . . . 0.0 110.198 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -67.36 -45.69 75.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.365 -0.834 . . . . 0.0 110.134 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.07 -38.0 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -0.824 . . . . 0.0 110.063 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.441 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 9.5 m-85 -70.22 -26.63 63.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.396 -0.815 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -80.97 137.7 36.09 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 110.226 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -73.61 -29.5 62.42 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 0.0 110.208 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -110.54 -177.35 3.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.839 . . . . 0.0 110.258 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.51 35.74 4.86 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -104.44 -34.98 8.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.38 -1.07 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.41 53.01 0.84 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mt -134.41 99.65 4.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.416 -1.049 . . . . 0.0 110.211 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.433 HD11 HD12 ' A' ' 105' ' ' LEU . 42.5 pt -117.98 160.27 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.376 -0.827 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.7 t -79.69 160.17 26.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.341 -0.85 . . . . 0.0 110.232 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.45 -34.12 60.86 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.377 -0.827 . . . . 0.0 110.476 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -59.52 5.26 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.293 -0.879 . . . . 0.0 110.091 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.752 ' O ' HG23 ' A' ' 108' ' ' VAL . 10.2 mt-10 -58.6 -26.9 64.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.411 -0.806 . . . . 0.0 110.114 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.742 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 4.0 tp -68.47 -44.73 74.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.402 -0.811 . . . . 0.0 110.04 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -65.93 -37.12 85.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 109.955 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -66.29 -31.49 72.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.436 -0.79 . . . . 0.0 110.145 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 104' ' ' GLU . 65.1 t -78.84 -42.63 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.427 -0.795 . . . . 0.0 110.156 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -33.4 74.48 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.417 -0.802 . . . . 0.0 110.216 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 m -79.98 -34.62 38.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.325 -0.86 . . . . 0.0 110.317 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.9 t -65.88 -44.26 85.85 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.295 -0.878 . . . . 0.0 110.146 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.99 -24.72 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.313 -0.867 . . . . 0.0 110.13 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.17 31.46 57.41 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.51 166.18 4.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.42 -1.047 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 59.52 5.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.368 -0.833 . . . . 0.0 110.212 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.6 mt -136.52 142.38 43.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.847 . . . . 0.0 110.205 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.4 p -100.71 174.83 5.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.313 -0.867 . . . . 0.0 110.206 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.26 -37.0 74.09 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.376 -0.828 . . . . 0.0 110.204 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.15 96.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.381 -0.824 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.44 -47.6 81.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.312 -0.867 . . . . 0.0 109.98 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.6 t -61.73 -26.93 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.344 -0.848 . . . . 0.0 109.922 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.93 -49.91 53.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.081 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -33.3 75.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 0.0 110.088 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.562 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.8 ttp -74.77 -33.41 62.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.409 -0.807 . . . . 0.0 110.067 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.455 HD21 HD22 ' A' ' 105' ' ' LEU . 4.5 mt -64.93 -44.69 88.66 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 110.02 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -62.18 -29.09 70.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.427 -0.796 . . . . 0.0 110.186 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -80.04 -39.57 29.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.63 HG22 ' CD ' ' A' ' 139' ' ' GLN . 59.6 t -87.49 -59.38 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 0.0 110.167 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.417 ' HB2' HD13 ' A' ' 135' ' ' ILE . 22.9 t -66.61 87.75 0.13 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.815 . . . . 0.0 110.186 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.23 -27.87 69.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.196 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -109.58 -106.71 3.03 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.44 -36.89 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.355 -1.085 . . . . 0.0 110.465 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -56.35 -97.26 0.01 OUTLIER Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.44 158.97 15.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.283 -1.128 . . . . 0.0 110.357 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.417 HD13 ' HB2' ' A' ' 129' ' ' SER . 83.9 mt -131.02 158.38 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 109.985 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -92.83 128.54 38.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.307 -0.871 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.711 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.7 pt -79.91 -9.86 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.367 -0.833 . . . . 0.0 110.616 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -59.99 -56.91 15.8 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.145 -0.972 . . . . 0.0 110.387 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.769 ' OE1' HD12 ' A' ' 143' ' ' LEU . 0.0 OUTLIER -73.44 -32.69 64.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.344 -0.847 . . . . 0.0 109.816 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.742 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 2.0 t80 -70.04 -41.25 74.48 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.329 -0.857 . . . . 0.0 109.894 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.78 94.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -0.879 . . . . 0.0 109.827 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.49 98.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.43 -0.794 . . . . 0.0 110.086 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.769 HD12 ' OE1' ' A' ' 139' ' ' GLN . 4.0 mt -62.43 -35.83 80.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.401 -0.812 . . . . 0.0 110.13 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.25 -66.93 0.79 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 110.154 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.497 1.896 0 O-C-N 121.488 -0.757 . . . . 0.0 110.674 179.868 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.428 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 121.328 0.585 . . . . 0.0 110.245 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -52.29 -50.07 62.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.486 -0.759 . . . . 0.0 109.753 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.428 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 13.6 pt-20 -54.18 -43.17 70.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.684 -0.635 . . . . 0.0 110.572 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 10.2 mm100 -68.43 -45.22 73.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.333 -0.854 . . . . 0.0 110.036 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.8 mt -65.46 -32.8 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.357 -0.84 . . . . 0.0 109.846 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.88 95.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.465 -0.772 . . . . 0.0 109.988 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.74 -49.99 70.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.433 -0.792 . . . . 0.0 110.144 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.2 m-85 -60.76 -41.01 94.62 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.35 -0.844 . . . . 0.0 110.19 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 2.7 ttmm -61.75 -38.34 87.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.328 -0.857 . . . . 0.0 110.206 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -61.08 -51.38 69.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 0.0 110.16 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.57 -34.25 73.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.435 -0.791 . . . . 0.0 110.112 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.47 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.0 t80 -68.61 -50.12 54.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.361 -0.837 . . . . 0.0 110.271 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.69 -29.94 70.42 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.287 -0.883 . . . . 0.0 110.203 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.82 -32.02 73.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.868 . . . . 0.0 110.238 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -102.77 25.4 9.27 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 0.0 110.226 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.3 -0.875 . . . . 0.0 110.113 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 p -133.43 145.99 50.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.324 -1.104 . . . . 0.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 16' ' ' PHE . 40.6 pt -126.44 157.54 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.332 -0.855 . . . . 0.0 110.219 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 m -84.18 160.16 20.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.181 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -39.94 84.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.39 -0.819 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.9 t -54.88 -24.77 24.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.382 -0.824 . . . . 0.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.824 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.9 mt-10 -95.3 -21.58 18.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.337 -0.852 . . . . 0.0 110.304 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 63' ' ' ILE . 60.9 tp -54.7 -53.65 52.14 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.27 -0.894 . . . . 0.0 110.434 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.07 77.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.247 -0.908 . . . . 0.0 110.173 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 m -69.32 -39.28 78.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.363 -0.836 . . . . 0.0 110.005 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 31' ' ' GLU . 99.9 t -62.05 -34.3 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.332 -0.855 . . . . 0.0 109.774 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.3 mtt -72.61 -35.37 67.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.386 -0.821 . . . . 0.0 109.797 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -66.15 -30.82 71.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.405 -0.809 . . . . 0.0 110.093 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.7 m -79.06 -35.96 41.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.407 -0.808 . . . . 0.0 110.142 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.81 -22.25 66.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.796 . . . . 0.0 110.278 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.22 34.82 0.99 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -126.25 176.63 6.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -1.06 . . . . 0.0 110.129 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -167.93 65.56 0.71 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.373 -0.829 . . . . 0.0 110.225 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.75 137.34 24.62 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.775 1.408 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.3 m -62.61 176.07 0.71 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.395 -0.815 . . . . 0.0 110.104 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -33.57 74.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.365 -0.834 . . . . 0.0 110.048 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.68 92.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.847 . . . . 0.0 109.972 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.62 -41.62 92.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.394 -0.816 . . . . 0.0 109.901 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 44' ' ' SER . 67.2 t -64.06 -38.73 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.4 -0.812 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -61.98 -38.78 89.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 109.894 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.99 -51.61 67.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.404 -0.81 . . . . 0.0 110.005 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.45 -43.57 98.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.393 -0.817 . . . . 0.0 109.99 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.5 mtt -67.59 -37.17 82.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.341 -0.849 . . . . 0.0 110.016 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -64.26 -27.71 69.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.4 -0.813 . . . . 0.0 110.201 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -86.65 -23.39 25.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -0.84 . . . . 0.0 110.204 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.694 HD13 ' CD1' ' A' ' 63' ' ' ILE . 3.7 mt -89.16 -50.2 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.863 . . . . 0.0 110.269 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.342 -0.849 . . . . 0.0 110.735 -179.377 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.204 0.526 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.694 ' CD1' HD13 ' A' ' 55' ' ' ILE . 76.5 mt -79.84 139.76 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.302 -0.874 . . . . 0.0 110.204 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.46 160.07 15.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.366 -0.834 . . . . 0.0 110.063 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.783 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.7 t80 -57.84 -26.78 62.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.329 -0.857 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 t -71.28 -55.27 8.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.402 -0.811 . . . . 0.0 110.069 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.43 ' O ' HD12 ' A' ' 71' ' ' LEU . 2.6 mt-10 -65.02 -31.61 72.93 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.36 -0.838 . . . . 0.0 110.079 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.38 -48.39 67.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.372 -0.83 . . . . 0.0 110.08 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.783 HD11 ' CE2' ' A' ' 65' ' ' PHE . 39.5 mt -59.37 -37.41 77.86 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.305 -0.872 . . . . 0.0 110.117 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.97 -47.21 72.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.511 -0.743 . . . . 0.0 110.051 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 67' ' ' GLU . 7.1 mt -62.97 -38.39 90.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.318 -0.864 . . . . 0.0 110.099 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.9 mmm -66.65 -42.0 87.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.19 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.324 -0.86 . . . . 0.0 110.254 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 121.21 0.528 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.57 -32.46 71.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.278 -0.889 . . . . 0.0 110.129 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -67.64 -34.17 76.43 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.443 -0.785 . . . . 0.0 110.068 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.479 HD23 HD13 ' A' ' 112' ' ' ILE . 18.3 mt -68.21 -48.88 64.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.45 -0.781 . . . . 0.0 110.066 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.02 -33.38 71.93 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.369 -0.832 . . . . 0.0 110.119 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.577 ' O ' HG23 ' A' ' 91' ' ' VAL . 14.6 mt-10 -68.03 -48.42 65.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.412 -0.805 . . . . 0.0 110.148 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.83 -44.55 92.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.353 -0.842 . . . . 0.0 110.023 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.466 ' CD1' HG22 ' A' ' 137' ' ' ILE . 3.5 m-85 -62.39 -40.36 96.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.343 -0.848 . . . . 0.0 110.083 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -60.86 -36.64 79.67 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.315 -0.866 . . . . 0.0 110.12 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 87' ' ' GLU . 72.0 t -68.36 -37.09 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.363 -0.836 . . . . 0.0 109.826 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.477 ' CD2' HG22 ' A' ' 108' ' ' VAL . 9.6 m-85 -77.91 -28.81 49.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.378 -0.826 . . . . 0.0 110.044 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.486 ' CG ' HG23 ' A' ' 100' ' ' ILE . 3.9 t0 -89.41 -32.28 17.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.412 -0.805 . . . . 0.0 110.411 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.51 -122.98 2.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.28 -0.887 . . . . 0.0 109.598 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -98.78 44.57 1.02 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.703 -1.248 . . . . 0.0 110.074 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.56 29.1 10.16 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.37 25.96 2.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.364 -1.08 . . . . 0.0 110.491 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.87 49.37 29.05 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 99' ' ' LEU . 7.0 mt -146.7 110.83 5.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.333 -1.099 . . . . 0.0 110.204 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.486 HG23 ' CG ' ' A' ' 93' ' ' ASP . 43.5 pt -122.69 160.15 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.332 -0.855 . . . . 0.0 110.244 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -79.77 160.31 26.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.42 28.32 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.347 -0.846 . . . . 0.0 110.539 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.51 -59.75 4.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.405 -0.81 . . . . 0.0 110.044 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 108' ' ' VAL . 35.8 mt-10 -58.99 -29.63 67.37 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.364 -0.835 . . . . 0.0 110.04 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.843 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.1 tp -68.44 -43.04 77.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.463 -0.773 . . . . 0.0 110.079 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.571 ' HE2' HD11 ' A' ' 125' ' ' LEU . 11.1 mmtt -64.85 -40.75 95.65 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.409 -0.807 . . . . 0.0 110.078 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -63.75 -33.78 76.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.371 -0.83 . . . . 0.0 110.155 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.9 t -71.94 -49.59 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.366 -0.834 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.0 -37.46 79.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.432 -0.793 . . . . 0.0 110.162 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.7 m -72.06 -42.76 65.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.418 -0.802 . . . . 0.0 110.183 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.7 t -62.08 -44.52 96.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.431 -0.793 . . . . 0.0 110.156 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.479 HD13 HD23 ' A' ' 85' ' ' LEU . 87.6 mt -62.44 -23.69 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.422 -0.799 . . . . 0.0 110.177 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.55 33.88 63.6 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.572 ' HB3' HD12 ' A' ' 116' ' ' LEU . 2.9 mm-40 -57.6 161.41 3.62 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.444 -1.033 . . . . 0.0 110.371 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.16 57.26 4.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.397 -0.814 . . . . 0.0 110.162 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.572 HD12 ' HB3' ' A' ' 114' ' ' GLU . 10.6 mt -130.18 167.86 17.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 0.0 110.395 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 121' ' ' VAL . 22.5 p -124.79 -167.7 1.71 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.4 -0.813 . . . . 0.0 110.271 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.98 -33.12 63.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.386 -0.821 . . . . 0.0 110.2 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.88 79.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.374 -0.829 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.63 -46.22 66.71 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.331 -0.856 . . . . 0.0 110.115 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 117' ' ' THR . 93.8 t -64.04 -25.98 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.408 -0.807 . . . . 0.0 109.948 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.34 -49.27 28.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.027 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.09 -32.2 72.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.393 -0.817 . . . . 0.0 110.03 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.479 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 23.1 ttp -72.67 -28.84 62.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.793 . . . . 0.0 110.026 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.571 HD11 ' HE2' ' A' ' 106' ' ' LYS . 8.0 mt -74.57 -38.38 62.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.446 -0.784 . . . . 0.0 110.093 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -69.03 -27.9 66.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -0.887 . . . . 0.0 110.231 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -80.16 -26.53 39.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.89 . . . . 0.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.657 HG12 HG23 ' A' ' 135' ' ' ILE . 58.5 t -98.97 -30.74 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.383 -0.823 . . . . 0.0 110.144 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.4 t -63.54 140.95 58.92 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.321 -0.862 . . . . 0.0 110.221 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -162.99 -43.47 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.403 -0.811 . . . . 0.0 110.22 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -73.96 -81.49 0.43 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.83 -70.86 0.13 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.398 -1.06 . . . . 0.0 110.258 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.96 32.77 1.99 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -130.19 130.27 44.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.347 -1.09 . . . . 0.0 110.169 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.657 HG23 HG12 ' A' ' 128' ' ' VAL . 80.4 mt -134.08 143.26 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.37 -0.831 . . . . 0.0 110.217 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -82.13 149.11 28.15 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.36 -0.838 . . . . 0.0 110.082 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 89' ' ' PHE . 21.1 pt -80.04 -21.51 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.36 -0.838 . . . . 0.0 110.364 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -59.44 -54.91 41.18 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.249 -0.907 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.444 ' O ' HD12 ' A' ' 143' ' ' LEU . 5.5 mm100 -62.14 -43.43 98.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.308 -0.87 . . . . 0.0 110.204 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.843 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.55 -45.14 84.53 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.403 -0.811 . . . . 0.0 109.975 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.91 -33.07 72.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.324 -0.86 . . . . 0.0 110.185 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.95 -27.5 39.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.29 -0.881 . . . . 0.0 110.187 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 139' ' ' GLN . 0.6 OUTLIER -70.25 -33.09 71.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.416 -0.803 . . . . 0.0 110.188 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.55 HD22 HD11 ' A' ' 116' ' ' LEU . 90.4 mt -73.16 -69.27 0.43 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.421 -0.799 . . . . 0.0 110.159 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.308 -0.87 . . . . 0.0 110.548 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.444 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.221 0.534 . . . . 0.0 110.163 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.8 -49.72 62.17 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.695 0.759 . . . . 0.0 109.68 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.444 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 11.0 pt-20 -57.51 -42.68 83.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.786 -0.571 . . . . 0.0 110.456 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 32.2 mt-30 -69.88 -45.07 68.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.417 -0.802 . . . . 0.0 109.923 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -66.0 -28.17 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.513 -0.742 . . . . 0.0 109.81 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.26 -38.69 71.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.835 . . . . 0.0 109.87 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -64.82 -48.49 74.2 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 0.0 110.11 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.6 m-85 -62.03 -37.89 86.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.255 -0.903 . . . . 0.0 109.934 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 11.3 ttmt -61.07 -40.93 95.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.42 -0.8 . . . . 0.0 110.221 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.22 -50.28 72.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -0.825 . . . . 0.0 110.059 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.45 76.99 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 110.061 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE1' HG23 ' A' ' 27' ' ' ILE . 16.8 t80 -69.34 -47.07 65.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.818 . . . . 0.0 110.179 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -28.93 70.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.423 -0.798 . . . . 0.0 110.174 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.25 -37.73 84.15 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.347 -0.846 . . . . 0.0 110.169 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -104.88 26.74 8.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.34 -0.85 . . . . 0.0 110.169 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.407 -0.808 . . . . 0.0 110.123 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -151.32 159.39 44.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.464 -1.021 . . . . 0.0 110.105 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.511 HG23 ' CE1' ' A' ' 16' ' ' PHE . 46.1 pt -124.11 159.87 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.433 -0.792 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -90.29 160.24 16.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.347 -0.846 . . . . 0.0 110.362 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -35.82 73.37 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.343 -0.848 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.02 -25.64 61.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.382 -0.824 . . . . 0.0 110.299 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.816 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.1 mt-10 -99.99 -15.25 18.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.388 -0.82 . . . . 0.0 110.502 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.636 HD22 HD13 ' A' ' 55' ' ' ILE . 60.5 tp -57.39 -46.53 83.33 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.201 -0.937 . . . . 0.0 110.404 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.598 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -60.41 -46.26 90.63 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.296 -0.878 . . . . 0.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.2 m -62.55 -38.06 88.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.362 -0.836 . . . . 0.0 110.09 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 31' ' ' GLU . 93.1 t -59.11 -41.49 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.366 -0.834 . . . . 0.0 109.831 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.0 mtt -68.95 -33.85 74.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.403 -0.81 . . . . 0.0 109.762 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -73.58 -37.06 65.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 110.042 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.77 -33.98 71.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.469 -0.769 . . . . 0.0 110.004 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.86 -36.57 83.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -0.788 . . . . 0.0 110.056 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.09 -12.2 1.64 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 mt -81.11 -176.48 5.97 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.144 -1.209 . . . . 0.0 110.165 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 m -168.94 66.65 0.64 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.408 -0.808 . . . . 0.0 110.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.74 137.75 25.27 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 O-C-N 123.738 1.388 . . . . 0.0 110.387 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.0 m -61.81 175.08 0.7 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 110.155 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.13 -27.33 68.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.255 -0.903 . . . . 0.0 110.115 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.87 68.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.375 -0.828 . . . . 0.0 110.102 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -66.15 -36.74 83.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.439 -0.788 . . . . 0.0 110.194 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.598 HG13 ' HB2' ' A' ' 33' ' ' ALA . 64.5 t -66.8 -40.5 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.367 -0.833 . . . . 0.0 110.081 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.84 -42.04 98.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.425 -0.797 . . . . 0.0 110.068 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -59.96 -47.95 83.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 0.0 110.045 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 55' ' ' ILE . 6.9 mt -63.44 -46.99 83.74 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.429 -0.794 . . . . 0.0 109.963 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.9 mtt -64.34 -30.03 71.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.377 -0.827 . . . . 0.0 109.874 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.07 -42.35 97.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.453 -0.779 . . . . 0.0 109.896 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -67.05 -40.8 87.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.403 -0.81 . . . . 0.0 109.934 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.636 HD13 HD22 ' A' ' 32' ' ' LEU . 6.7 mt -75.35 -59.5 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 0.0 109.875 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 110.049 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.168 0.509 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.585 ' CD1' HD22 ' A' ' 32' ' ' LEU . 67.0 mt -98.39 119.84 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.209 -0.932 . . . . 0.0 110.351 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.87 160.16 17.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.394 -0.816 . . . . 0.0 109.85 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.666 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.9 t80 -56.3 -25.24 47.87 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.29 -0.882 . . . . 0.0 110.492 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.4 p -71.89 -51.05 24.14 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.277 -0.89 . . . . 0.0 110.15 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.53 -35.26 78.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.37 -0.831 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -63.36 -47.09 83.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.37 -0.831 . . . . 0.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.666 HD11 ' CE2' ' A' ' 65' ' ' PHE . 43.7 mt -61.24 -39.73 91.41 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.289 -0.882 . . . . 0.0 110.0 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.5 -46.07 70.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.419 -0.8 . . . . 0.0 110.047 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.3 mt -63.45 -36.19 82.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.413 -0.804 . . . . 0.0 110.136 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.8 mmm -67.74 -40.8 84.13 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.334 -0.854 . . . . 0.0 110.139 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.354 -0.841 . . . . 0.0 110.12 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.174 0.512 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -59.47 -27.14 65.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.38 -0.825 . . . . 0.0 110.213 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.03 -41.22 77.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 110.068 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -42.66 86.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.277 -0.889 . . . . 0.0 110.176 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.69 -35.95 81.35 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.45 -0.781 . . . . 0.0 110.018 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.93 -46.14 69.0 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.824 . . . . 0.0 110.093 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.1 99.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.302 -0.873 . . . . 0.0 110.031 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.488 ' HB3' HD13 ' A' ' 137' ' ' ILE . 9.3 m-85 -64.57 -32.55 74.25 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.377 -0.827 . . . . 0.0 110.168 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -65.52 -40.13 92.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.328 -0.858 . . . . 0.0 110.131 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.88 -36.59 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.375 -0.828 . . . . 0.0 110.038 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.97 -32.03 68.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 110.162 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.91 137.67 35.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.399 -0.813 . . . . 0.0 110.197 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -74.88 -45.37 43.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.165 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -86.1 -176.35 5.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.364 -0.835 . . . . 0.0 110.212 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.06 33.43 5.73 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.63 -31.85 10.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.348 -1.089 . . . . 0.0 110.2 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.81 67.63 0.8 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 99' ' ' LEU . 31.1 mt -144.69 110.37 5.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.35 -1.088 . . . . 0.0 110.172 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 pt -132.34 160.05 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.362 -0.836 . . . . 0.0 110.358 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.78 160.12 26.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.378 -0.826 . . . . 0.0 110.201 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.23 -28.37 58.18 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.294 -0.879 . . . . 0.0 110.353 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.59 -56.84 11.33 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.422 -0.799 . . . . 0.0 110.082 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.659 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.4 mt-10 -61.61 -32.54 72.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.825 . . . . 0.0 110.036 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.782 HD22 HD21 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -67.29 -37.52 83.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.402 -0.812 . . . . 0.0 110.103 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -72.16 -33.88 68.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -70.32 -29.89 66.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 110.175 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 104' ' ' GLU . 62.9 t -79.16 -33.04 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.434 -0.791 . . . . 0.0 110.185 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.59 -28.14 60.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.39 -0.819 . . . . 0.0 110.267 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -80.03 -41.74 25.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.356 -0.84 . . . . 0.0 110.358 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -42.56 99.39 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.282 -0.886 . . . . 0.0 110.244 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 108' ' ' VAL . 74.4 mt -62.75 -27.36 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.337 -0.852 . . . . 0.0 110.078 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.17 32.72 47.36 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.45 161.17 12.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.402 -1.057 . . . . 0.0 110.17 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 60.62 6.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.367 -0.833 . . . . 0.0 110.16 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.1 mt -136.78 134.84 37.48 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.387 -0.821 . . . . 0.0 110.217 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.5 p -93.53 178.79 5.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.858 . . . . 0.0 110.194 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -33.22 74.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.88 95.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.336 -0.852 . . . . 0.0 110.166 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -65.91 -48.2 72.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.373 -0.829 . . . . 0.0 110.197 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.72 -29.67 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.375 -0.828 . . . . 0.0 110.046 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -48.94 56.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.315 -0.866 . . . . 0.0 110.053 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.51 -30.12 70.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.44 -0.788 . . . . 0.0 110.104 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.6 ttp -74.43 -32.17 62.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.344 -0.847 . . . . 0.0 110.029 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.782 HD21 HD22 ' A' ' 105' ' ' LEU . 22.5 mt -69.88 -40.89 75.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.452 -0.78 . . . . 0.0 110.195 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -61.91 -31.13 71.4 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.396 -0.815 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -80.0 -43.63 21.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.276 -0.89 . . . . 0.0 110.377 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.603 HG12 HG23 ' A' ' 135' ' ' ILE . 61.5 t -81.92 -56.19 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.385 -0.822 . . . . 0.0 110.25 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t -59.43 108.79 0.76 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.316 -0.865 . . . . 0.0 110.405 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -105.64 -39.69 6.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.325 -0.86 . . . . 0.0 110.103 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 132' ' ' SER . . . -84.54 -8.55 82.95 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 131' ' ' GLY . 1.1 t 70.21 -4.18 1.62 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.394 -1.062 . . . . 0.0 111.256 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.83 -77.15 1.26 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -109.69 146.76 34.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.463 -1.021 . . . . 0.0 110.149 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.603 HG23 HG12 ' A' ' 128' ' ' VAL . 83.9 mt -113.56 153.27 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.313 -0.867 . . . . 0.0 110.192 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -93.61 117.65 30.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.311 -0.868 . . . . 0.0 110.235 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' A' ' 89' ' ' PHE . 25.2 pt -60.4 -20.2 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.383 -0.823 . . . . 0.0 110.493 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.23 -52.8 64.07 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.308 -0.87 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -68.86 -40.47 79.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.346 -0.846 . . . . 0.0 110.178 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.525 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -66.55 -45.7 78.5 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.299 -0.875 . . . . 0.0 110.21 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.43 72.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.852 . . . . 0.0 110.161 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.16 62.44 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.261 -0.899 . . . . 0.0 110.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 mt -68.74 -32.3 71.98 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.32 -0.863 . . . . 0.0 110.095 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.8 mt -78.38 -28.18 46.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.857 . . . . 0.0 110.292 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.366 -0.834 . . . . 0.0 110.289 -179.929 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.541 ' O ' HD12 ' A' ' 9' ' ' ILE . 5.1 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.175 0.512 . . . . 0.0 109.858 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.85 -32.63 72.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.31 -0.869 . . . . 0.0 110.179 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -70.35 -45.72 65.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.853 . . . . 0.0 109.969 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -68.74 -40.43 79.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.387 -0.82 . . . . 0.0 109.982 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 5' ' ' THR . 38.0 mt -67.35 -30.12 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -0.846 . . . . 0.0 109.862 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.28 69.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.401 -0.812 . . . . 0.0 109.903 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -66.06 -49.18 68.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.426 -0.796 . . . . 0.0 110.037 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -60.39 -38.04 82.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.314 -0.866 . . . . 0.0 110.019 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.0 ttmt -60.85 -39.64 89.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.385 -0.822 . . . . 0.0 110.062 179.752 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -62.35 -50.22 72.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.43 -0.793 . . . . 0.0 109.998 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.84 -34.08 71.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.419 -0.801 . . . . 0.0 110.043 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -68.86 -39.55 79.8 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.381 -0.825 . . . . 0.0 110.068 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.69 65.67 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.377 -0.827 . . . . 0.0 110.136 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.19 -31.91 71.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.34 -0.85 . . . . 0.0 110.181 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' HG22 ' A' ' 27' ' ' ILE . 88.7 m-85 -111.35 30.57 6.81 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.389 -0.819 . . . . 0.0 110.087 179.957 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 p -153.57 140.37 19.07 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.367 -1.078 . . . . 0.0 110.214 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 19' ' ' PHE . 45.3 pt -122.75 153.56 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.336 -0.852 . . . . 0.0 110.176 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 m -83.46 160.15 21.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.366 -0.834 . . . . 0.0 110.304 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -36.68 71.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.377 -0.827 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.4 p -58.39 -31.77 67.98 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.375 -0.828 . . . . 0.0 110.262 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 35' ' ' VAL . 21.2 mt-10 -89.49 -17.59 28.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.424 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.53 -52.64 64.02 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.277 -0.889 . . . . 0.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.82 72.53 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.332 -0.855 . . . . 0.0 110.162 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.5 m -69.66 -38.95 77.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.345 -0.847 . . . . 0.0 110.011 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 31' ' ' GLU . 93.6 t -61.36 -38.54 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.382 -0.824 . . . . 0.0 109.843 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 61.0 mtt -70.3 -34.03 72.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.379 -0.826 . . . . 0.0 109.981 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -64.86 -33.2 75.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.418 -0.801 . . . . 0.0 110.013 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.52 -34.75 40.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.391 -0.818 . . . . 0.0 110.232 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.8 mt -64.7 -24.83 67.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.391 -0.818 . . . . 0.0 110.152 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.54 37.09 0.7 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -125.7 176.05 7.18 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -1.077 . . . . 0.0 110.187 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -167.28 64.83 0.75 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.364 -0.835 . . . . 0.0 110.161 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -74.53 137.43 22.86 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.767 1.404 . . . . 0.0 110.453 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.4 m -63.22 178.99 0.45 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.426 -0.796 . . . . 0.0 110.052 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.46 -31.48 72.21 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.258 -0.901 . . . . 0.0 110.059 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.49 91.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.41 -0.806 . . . . 0.0 110.112 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.73 -42.66 90.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.346 -0.846 . . . . 0.0 109.955 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 44' ' ' SER . 57.4 t -62.54 -37.71 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.437 -0.789 . . . . 0.0 109.881 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -64.26 -38.23 90.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.497 -0.752 . . . . 0.0 109.981 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -62.06 -48.26 81.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 0.0 110.045 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.484 ' O ' HD12 ' A' ' 55' ' ' ILE . 9.3 mt -61.55 -45.08 95.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.371 -0.83 . . . . 0.0 110.072 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.2 mtt -66.54 -28.1 68.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.353 -0.842 . . . . 0.0 109.958 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -66.46 -39.63 88.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.413 -0.804 . . . . 0.0 109.977 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -74.55 -29.58 61.42 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 110.013 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.517 HD13 HD11 ' A' ' 63' ' ' ILE . 11.3 mt -87.32 -60.87 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.417 -0.802 . . . . 0.0 109.98 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.351 -0.843 . . . . 0.0 110.343 -179.761 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.12 0.485 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.517 HD11 HD13 ' A' ' 55' ' ' ILE . 76.0 mt -84.36 118.14 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.376 -0.828 . . . . 0.0 110.294 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -85.99 160.12 19.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.42 -0.8 . . . . 0.0 110.0 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.759 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.6 t80 -56.53 -26.43 54.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.331 -0.856 . . . . 0.0 110.404 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.5 p -72.93 -50.81 21.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.351 -0.843 . . . . 0.0 110.073 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.78 -29.24 69.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.824 . . . . 0.0 110.191 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -71.19 -48.75 49.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.401 -0.812 . . . . 0.0 110.171 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.759 HD11 ' CE2' ' A' ' 65' ' ' PHE . 40.6 mt -60.2 -32.74 71.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.367 -0.833 . . . . 0.0 110.067 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.64 -48.18 49.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -0.831 . . . . 0.0 110.101 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.32 -39.4 86.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.311 -0.868 . . . . 0.0 110.031 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.0 mmm -67.3 -33.15 74.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.33 -0.856 . . . . 0.0 109.925 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.109 179.932 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.536 ' HG2' HD11 ' A' ' 86' ' ' LEU . 22.8 tt0 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 121.183 0.516 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.505 ' HA ' HD12 ' A' ' 86' ' ' LEU . 5.6 mm-40 -52.91 -43.65 66.36 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.319 -0.863 . . . . 0.0 110.392 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -64.51 -44.37 91.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.308 -0.87 . . . . 0.0 109.93 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.433 HD21 HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -62.71 -40.41 97.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 0.0 110.046 179.868 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.536 HD11 ' HG2' ' A' ' 82' ' ' GLU . 26.1 mt -63.12 -31.85 73.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.01 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.19 -50.16 61.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.07 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.73 92.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.329 -0.857 . . . . 0.0 110.134 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.639 ' HB3' HD13 ' A' ' 137' ' ' ILE . 10.8 m-85 -62.38 -32.9 73.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.396 -0.815 . . . . 0.0 110.116 179.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -64.06 -43.5 95.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.376 -0.827 . . . . 0.0 110.097 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.41 -45.65 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 110.082 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.486 ' CZ ' HG22 ' A' ' 108' ' ' VAL . 11.2 m-85 -64.92 -28.95 69.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 110.123 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 95' ' ' ASN . 5.7 t0 -61.84 -28.16 69.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.39 -0.819 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 -68.69 0.11 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.718 . . . . 0.0 110.649 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' ASP . 5.5 m120 -72.25 -76.08 0.12 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.237 -0.914 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.31 45.92 0.05 OUTLIER Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -119.98 7.12 10.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.376 -1.073 . . . . 0.0 110.53 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.68 53.35 46.03 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.1 mt -146.8 112.36 5.61 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.356 -1.085 . . . . 0.0 110.345 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.659 HD11 HD12 ' A' ' 105' ' ' LEU . 41.5 pt -132.28 160.2 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 t -79.93 160.19 26.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.289 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.99 -35.31 69.04 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.336 -0.853 . . . . 0.0 110.227 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.71 -50.02 72.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.095 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.747 ' O ' HG23 ' A' ' 108' ' ' VAL . 10.5 mt-10 -64.17 -35.52 81.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.369 -0.832 . . . . 0.0 109.936 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.792 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -66.21 -39.49 89.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.408 -0.808 . . . . 0.0 110.001 179.783 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -46.95 77.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.362 -0.836 . . . . 0.0 110.185 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -59.97 -33.12 71.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.0 t -75.74 -38.35 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.429 -0.795 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -68.88 -26.69 65.25 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.293 -0.879 . . . . 0.0 110.168 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.6 m -79.11 -30.46 43.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.32 -0.862 . . . . 0.0 110.216 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 m -76.48 -37.35 56.99 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.292 -0.88 . . . . 0.0 110.228 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.433 HD13 HD21 ' A' ' 85' ' ' LEU . 71.8 mt -62.04 -26.92 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.134 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.13 37.13 19.41 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.92 -7.22 52.92 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.313 -1.11 . . . . 0.0 110.483 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.65 43.28 30.43 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.174 -0.954 . . . . 0.0 110.367 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 120' ' ' GLU . 7.4 mt -96.79 115.64 27.78 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.113 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.8 p -62.19 165.18 6.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.37 -0.831 . . . . 0.0 110.124 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.3 -33.66 75.09 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.287 -0.883 . . . . 0.0 110.249 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.13 81.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.2 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.464 ' HB3' HD22 ' A' ' 116' ' ' LEU . 5.6 mm-40 -66.28 -51.33 58.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.412 -0.805 . . . . 0.0 110.142 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.57 -29.55 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.39 -0.819 . . . . 0.0 110.122 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.22 -41.05 86.39 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.171 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.28 -28.03 62.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.329 -0.857 . . . . 0.0 110.188 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.544 ' HG2' HD13 ' A' ' 143' ' ' LEU . 4.8 mtp -79.75 -31.23 40.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.384 -0.822 . . . . 0.0 110.173 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.0 mt -72.55 -42.27 64.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.283 -0.886 . . . . 0.0 110.149 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -66.15 -34.27 77.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.371 -0.831 . . . . 0.0 110.165 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -80.03 -29.25 39.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.402 -0.811 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 124' ' ' MET . 63.8 t -94.53 -61.81 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.407 -0.808 . . . . 0.0 110.122 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.4 t -61.4 139.31 58.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.32 -0.862 . . . . 0.0 110.208 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -129.32 -45.05 1.23 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.303 -0.873 . . . . 0.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.54 78.46 0.02 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.2 t -147.26 -53.76 0.22 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.334 -1.098 . . . . 0.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 164.47 -77.04 0.15 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -108.8 156.07 20.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.34 -1.094 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 83.5 mt -96.83 159.95 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.373 -0.829 . . . . 0.0 110.184 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -89.06 133.39 34.38 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.355 -0.841 . . . . 0.0 110.254 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 89' ' ' PHE . 4.6 pt -76.72 -17.89 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.355 -0.84 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -57.11 14.03 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.243 -0.911 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -63.21 -41.19 99.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.306 -0.871 . . . . 0.0 110.202 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.792 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -67.88 -39.69 83.66 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.35 -0.844 . . . . 0.0 110.096 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.86 -31.53 72.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.351 -0.843 . . . . 0.0 110.212 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.64 -34.58 40.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.544 HD13 ' HG2' ' A' ' 124' ' ' MET . 10.3 mt -65.52 -32.78 74.57 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.397 -0.814 . . . . 0.0 110.198 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.482 HD21 ' HE1' ' A' ' 124' ' ' MET . 84.9 mt -80.04 -48.35 13.43 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.369 -0.832 . . . . 0.0 110.235 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.388 -0.82 . . . . 0.0 110.191 -179.921 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.168 0.509 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.91 -40.95 95.07 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.288 -0.883 . . . . 0.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.83 -45.26 93.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.294 -0.879 . . . . 0.0 110.083 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.4 mm100 -67.9 -45.03 75.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 110.088 179.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.09 -29.11 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.307 -0.871 . . . . 0.0 110.031 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.24 -38.27 78.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.387 -0.821 . . . . 0.0 110.036 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.42 -47.38 70.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.421 -0.8 . . . . 0.0 110.189 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 22.4 m-85 -62.6 -35.33 79.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.349 -0.845 . . . . 0.0 109.99 179.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.63 -42.87 99.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.371 -0.831 . . . . 0.0 110.223 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.75 -46.34 88.51 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.337 -0.852 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.48 -27.82 62.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.287 -0.883 . . . . 0.0 110.294 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' A' ' 27' ' ' ILE . 8.8 t80 -79.29 -35.3 41.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.269 -0.894 . . . . 0.0 110.265 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.64 -28.32 60.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.865 . . . . 0.0 110.149 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 18' ' ' LEU . 18.4 mt -64.78 -36.61 84.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.387 -0.821 . . . . 0.0 110.174 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -99.96 23.71 9.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.389 -0.819 . . . . 0.0 110.183 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.32 -0.862 . . . . 0.0 110.138 179.965 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -160.0 153.63 22.59 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.318 -1.107 . . . . 0.0 110.305 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.57 HG23 ' CE1' ' A' ' 16' ' ' PHE . 38.8 pt -125.21 160.16 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.418 -0.801 . . . . 0.0 110.134 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -79.98 159.98 26.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.305 -0.872 . . . . 0.0 110.316 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -63.76 -40.09 95.86 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.43 -0.794 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 t -56.53 -26.89 56.13 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.437 -0.789 . . . . 0.0 110.401 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.832 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.9 mt-10 -90.78 -18.84 24.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.298 -0.876 . . . . 0.0 110.324 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 63' ' ' ILE . 60.9 tp -55.82 -52.39 64.16 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.28 -0.887 . . . . 0.0 110.373 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.03 82.89 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.345 -0.847 . . . . 0.0 110.153 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.3 m -68.09 -40.09 82.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 110.036 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 31' ' ' GLU . 92.0 t -61.12 -34.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.301 -0.874 . . . . 0.0 109.918 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.9 mtt -70.24 -39.23 75.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.455 -0.778 . . . . 0.0 109.903 179.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -63.72 -35.41 80.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.403 -0.811 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -34.86 52.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.386 -0.821 . . . . 0.0 110.057 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.71 -23.99 66.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.17 32.9 1.19 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.8 mt -122.21 178.28 5.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -1.117 . . . . 0.0 110.23 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -169.77 67.76 0.59 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.377 -0.827 . . . . 0.0 110.098 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.48 140.49 30.1 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.781 1.411 . . . . 0.0 110.572 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.06 168.99 2.92 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.357 -0.839 . . . . 0.0 110.047 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -59.96 -26.75 66.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.322 -0.861 . . . . 0.0 110.171 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.53 -42.64 70.95 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.418 -0.801 . . . . 0.0 110.086 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -65.56 -40.31 92.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.846 . . . . 0.0 109.989 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.5 t -63.11 -40.25 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.384 -0.822 . . . . 0.0 109.901 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -61.16 -42.88 99.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.414 -0.804 . . . . 0.0 110.021 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.35 -48.85 79.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.417 -0.802 . . . . 0.0 110.076 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.08 -44.42 95.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.383 -0.823 . . . . 0.0 109.988 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.5 mtt -68.0 -29.72 68.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.395 -0.816 . . . . 0.0 109.857 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.31 -37.2 86.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.416 -0.803 . . . . 0.0 109.819 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -77.49 -38.25 49.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.415 -0.803 . . . . 0.0 109.857 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.6 mt -81.75 -65.68 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.412 -0.805 . . . . 0.0 109.876 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.431 -0.793 . . . . 0.0 110.222 179.957 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.289 0.566 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CD1' HD22 ' A' ' 32' ' ' LEU . 71.9 mt -82.32 130.75 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.352 -0.843 . . . . 0.0 110.166 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -91.03 159.96 15.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 0.0 110.132 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.818 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.0 t80 -58.91 -27.73 65.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.346 -0.846 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 t -69.76 -55.39 10.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.37 -0.831 . . . . 0.0 110.09 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.12 -32.51 73.91 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.321 -0.862 . . . . 0.0 110.082 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -66.32 -49.42 67.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.41 -0.806 . . . . 0.0 110.121 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.818 HD11 ' CE2' ' A' ' 65' ' ' PHE . 37.1 mt -59.91 -32.66 70.97 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.368 -0.833 . . . . 0.0 110.173 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.0 -49.79 41.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.445 -0.785 . . . . 0.0 110.092 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.46 -35.73 80.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.381 -0.825 . . . . 0.0 109.985 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.3 mmm -66.8 -44.42 81.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.359 -0.838 . . . . 0.0 110.058 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.409 -0.807 . . . . 0.0 110.034 179.803 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 86' ' ' LEU . 12.1 pt-20 . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.231 0.539 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -64.08 -42.76 96.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.153 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -59.95 -41.59 92.21 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.279 -0.888 . . . . 0.0 110.176 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.15 -49.46 77.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 109.868 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 82' ' ' GLU . 4.0 mt -67.21 -27.28 67.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.424 -0.797 . . . . 0.0 109.757 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.4 tt0 -70.25 -38.52 75.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.438 -0.789 . . . . 0.0 109.954 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.01 -44.66 53.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.389 -0.819 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.509 ' HB3' HD13 ' A' ' 137' ' ' ILE . 16.3 m-85 -62.9 -37.92 88.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.322 -0.861 . . . . 0.0 110.058 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -65.72 -43.56 88.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 110.109 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 87' ' ' GLU . 66.3 t -64.65 -27.48 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.415 -0.803 . . . . 0.0 110.064 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -78.84 -36.06 43.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.374 -0.829 . . . . 0.0 110.217 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.03 145.51 27.66 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.293 -0.879 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 96' ' ' GLY . 0.2 OUTLIER -72.12 144.19 48.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.362 -0.837 . . . . 0.0 110.218 179.896 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 65.28 -69.5 0.1 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.545 -0.722 . . . . 0.0 110.611 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 145.1 45.94 0.04 OUTLIER Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -45.03 14.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.307 -1.114 . . . . 0.0 110.211 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.23 32.37 4.33 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.2 mt -126.17 102.31 7.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -1.042 . . . . 0.0 110.236 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.9 pt -124.88 160.26 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.358 -0.839 . . . . 0.0 110.209 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.8 m -79.82 160.24 26.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.308 -0.87 . . . . 0.0 110.145 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.4 -30.77 41.77 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.317 -0.864 . . . . 0.0 110.478 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.15 -53.13 54.36 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.376 -0.827 . . . . 0.0 110.039 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.784 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.6 mt-10 -60.52 -40.47 91.59 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.342 -0.849 . . . . 0.0 110.031 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.78 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -62.56 -39.83 94.9 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.354 -0.841 . . . . 0.0 110.129 179.913 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -65.03 -47.05 78.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.411 -0.805 . . . . 0.0 110.124 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -61.85 -28.45 69.5 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.415 -0.803 . . . . 0.0 110.157 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 104' ' ' GLU . 90.0 t -77.46 -44.01 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.399 -0.813 . . . . 0.0 110.158 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -32.7 70.52 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.349 -0.844 . . . . 0.0 110.272 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.8 m -79.93 -32.63 40.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.381 -0.825 . . . . 0.0 110.217 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -72.38 -38.37 68.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 0.0 110.264 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.641 HD11 HG12 ' A' ' 108' ' ' VAL . 57.0 mt -63.54 -27.23 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.319 -0.863 . . . . 0.0 110.122 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.12 40.25 11.76 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 116' ' ' LEU . 3.2 mm-40 -85.31 4.07 36.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.398 -1.06 . . . . 0.0 110.571 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.585 ' O ' ' C ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER 67.69 -64.48 0.27 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.446 -0.784 . . . . 0.0 110.343 -179.643 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.585 ' C ' ' O ' ' A' ' 115' ' ' LYS . 15.3 mt 11.77 98.14 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 121.218 0.532 . . . . 0.0 112.334 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.4 p -56.72 165.64 1.14 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.335 -0.853 . . . . 0.0 110.27 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -60.24 -30.37 69.37 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.305 -0.872 . . . . 0.0 110.202 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.18 -32.54 73.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.349 -0.845 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.434 ' HB3' HD22 ' A' ' 116' ' ' LEU . 5.1 mm-40 -66.9 -52.0 48.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.379 -0.826 . . . . 0.0 110.115 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.423 HG12 HD12 ' A' ' 125' ' ' LEU . 93.8 t -61.55 -27.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.93 179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -69.72 -47.79 61.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.378 -0.826 . . . . 0.0 109.954 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.81 -37.21 81.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.327 -0.858 . . . . 0.0 109.971 179.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.619 ' HE1' HD21 ' A' ' 144' ' ' LEU . 1.6 mtp -71.4 -36.72 71.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.418 -0.801 . . . . 0.0 109.93 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.423 HD12 HG12 ' A' ' 121' ' ' VAL . 7.4 mt -61.54 -43.27 99.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.444 -0.785 . . . . 0.0 110.021 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -55.13 -48.94 72.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.362 -0.836 . . . . 0.0 109.763 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -69.87 -21.9 63.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.775 . . . . 0.0 109.677 179.15 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.715 HG11 ' HD2' ' A' ' 140' ' ' PHE . 82.9 t -112.2 50.77 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.237 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.0 p -146.84 28.05 1.05 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.932 -1.105 . . . . 0.0 110.331 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.74 58.01 1.62 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.37 -0.832 . . . . 0.0 110.182 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -135.62 -88.93 0.27 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.5 t -166.25 -68.1 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.296 -1.12 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.81 30.51 1.24 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -155.06 160.11 40.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.343 -1.092 . . . . 0.0 110.137 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.612 HG23 HG12 ' A' ' 128' ' ' VAL . 83.8 mt -133.35 159.64 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.374 -0.829 . . . . 0.0 110.153 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -104.53 141.19 36.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.395 -0.816 . . . . 0.0 110.257 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.509 HD13 ' HB3' ' A' ' 89' ' ' PHE . 13.0 pt -80.04 -20.24 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.404 -0.81 . . . . 0.0 110.613 -179.841 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.49 -66.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.111 -0.993 . . . . 0.0 110.428 -179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.696 HE21 HG13 ' A' ' 128' ' ' VAL . 9.7 pt20 -55.38 -44.01 75.68 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.222 -0.923 . . . . 0.0 110.528 -179.79 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.78 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 1.4 t80 -61.09 -51.29 69.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -0.865 . . . . 0.0 110.08 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.27 -28.79 67.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.384 -0.822 . . . . 0.0 110.132 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.52 -38.4 55.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.451 -0.781 . . . . 0.0 109.996 179.831 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.14 -37.06 81.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 110.086 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.619 HD21 ' HE1' ' A' ' 124' ' ' MET . 87.7 mt -73.28 -24.3 60.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.433 -0.792 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 110.233 179.977 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.16 0.505 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.0 -42.85 81.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.385 -0.822 . . . . 0.0 110.287 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.0 -48.65 79.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.395 -0.816 . . . . 0.0 109.696 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.435 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.3 mt-30 -65.22 -46.78 79.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.452 -0.78 . . . . 0.0 109.809 179.565 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.5 mt -62.12 -28.42 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 109.919 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.65 77.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.293 -0.879 . . . . 0.0 109.748 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.5 -49.67 65.79 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.403 -0.811 . . . . 0.0 110.292 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.529 ' HB2' HD21 ' A' ' 69' ' ' LEU . 15.1 m-85 -60.55 -31.3 70.41 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.232 -0.918 . . . . 0.0 109.671 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.7 ttmm -65.55 -43.16 90.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.459 -0.776 . . . . 0.0 110.08 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.23 -44.15 97.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.442 -0.786 . . . . 0.0 110.17 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.58 -28.3 61.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.355 -0.84 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -77.23 -41.82 39.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.216 -0.927 . . . . 0.0 110.152 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.56 -27.71 64.34 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.374 -0.829 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 18' ' ' LEU . 15.7 mt -65.3 -31.5 72.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -103.48 25.04 10.14 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.278 -0.889 . . . . 0.0 110.407 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.268 -0.895 . . . . 0.0 110.046 179.935 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p -158.75 144.51 16.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -1.127 . . . . 0.0 110.264 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.8 pt -130.18 158.99 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.32 -0.863 . . . . 0.0 110.203 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 m -84.59 159.93 20.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.391 -0.818 . . . . 0.0 110.136 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -34.99 76.1 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.432 -0.793 . . . . 0.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -27.01 62.14 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.389 -0.819 . . . . 0.0 110.43 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.805 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.9 mt-10 -93.87 -19.32 21.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.493 HD11 ' CE ' ' A' ' 36' ' ' MET . 48.8 tp -52.66 -56.22 17.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.274 -0.891 . . . . 0.0 110.496 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.38 79.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.314 -0.866 . . . . 0.0 110.185 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.1 m -69.31 -40.03 77.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.298 -0.876 . . . . 0.0 110.143 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 31' ' ' GLU . 87.0 t -61.61 -32.49 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.385 -0.822 . . . . 0.0 109.831 179.843 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 32' ' ' LEU . 13.8 mtt -74.12 -35.75 64.15 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.406 -0.809 . . . . 0.0 109.788 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -34.23 77.92 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.475 -0.765 . . . . 0.0 110.1 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -78.45 -34.96 47.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.425 -0.797 . . . . 0.0 110.178 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 39' ' ' LEU . 11.9 mt -67.21 -24.97 65.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 110.254 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.14 36.67 0.85 Allowed Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.1 mt -121.64 172.76 7.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.309 -1.113 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -166.25 67.6 1.05 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.366 -0.834 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.45 138.5 24.57 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.767 1.404 . . . . 0.0 110.447 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -61.12 169.88 1.87 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.294 -0.879 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.48 -28.95 67.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.279 -0.888 . . . . 0.0 110.102 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.57 68.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.839 . . . . 0.0 109.923 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.79 -40.29 96.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.316 -0.865 . . . . 0.0 109.898 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.82 -47.59 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.381 -0.824 . . . . 0.0 109.857 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -44.98 69.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.32 -0.863 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -57.16 -47.45 81.18 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.299 -0.876 . . . . 0.0 109.936 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.63 -51.88 56.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.483 -0.761 . . . . 0.0 109.821 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.7 -24.37 67.75 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.398 -0.814 . . . . 0.0 110.114 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -69.66 -39.51 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.881 . . . . 0.0 109.596 179.512 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -77.21 -33.52 56.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.364 -0.835 . . . . 0.0 109.776 179.6 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.401 HD11 HD13 ' A' ' 71' ' ' LEU . 31.1 mt -87.73 -65.15 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.438 -0.789 . . . . 0.0 109.694 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.439 -0.788 . . . . 0.0 110.124 -179.989 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.164 0.507 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.8 mt -79.94 136.94 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.397 -0.814 . . . . 0.0 110.238 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.87 160.27 14.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.417 -0.802 . . . . 0.0 110.034 179.824 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 69' ' ' LEU . 7.7 t80 -56.67 -45.17 81.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 110.544 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.5 p -57.49 -44.86 85.29 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.292 -0.88 . . . . 0.0 110.106 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.628 ' O ' HD12 ' A' ' 71' ' ' LEU . 50.1 mt-10 -66.61 -39.53 88.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.377 -0.827 . . . . 0.0 109.585 179.643 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 72' ' ' MET . 49.6 t80 -62.26 -58.31 8.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.593 -0.692 . . . . 0.0 110.081 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.785 HD11 ' CE2' ' A' ' 65' ' ' PHE . 82.9 mt -53.11 -30.75 38.28 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.19 -0.944 . . . . 0.0 110.297 -179.622 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.14 -48.71 12.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.296 -0.877 . . . . 0.0 110.07 179.563 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 67' ' ' GLU . 5.8 mt -73.82 -30.6 62.8 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.373 -0.83 . . . . 0.0 109.635 179.577 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.523 ' CG ' ' HA ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -77.14 -36.2 55.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.594 -0.691 . . . . 0.0 109.693 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 72' ' ' MET . 19.7 t . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.604 -0.685 . . . . 0.0 110.021 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.278 0.561 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -66.99 -36.91 83.23 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.346 -0.846 . . . . 0.0 110.001 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.14 -47.15 83.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.417 -0.802 . . . . 0.0 110.076 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.2 -41.25 98.19 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.373 -0.829 . . . . 0.0 110.074 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.88 -35.06 78.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.39 -0.819 . . . . 0.0 110.126 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -65.36 -48.68 72.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.339 -0.851 . . . . 0.0 110.06 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.37 -47.38 85.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.356 -0.84 . . . . 0.0 110.24 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.623 ' HB3' HD13 ' A' ' 137' ' ' ILE . 13.7 m-85 -61.8 -26.79 68.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.339 -0.851 . . . . 0.0 110.186 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -76.81 -41.04 45.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.332 -0.855 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 87' ' ' GLU . 79.4 t -60.96 -41.53 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.379 -0.825 . . . . 0.0 110.141 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.535 ' CZ ' HG22 ' A' ' 108' ' ' VAL . 11.0 m-85 -65.4 -26.47 68.0 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.419 -0.801 . . . . 0.0 110.208 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.99 166.15 21.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.334 -0.853 . . . . 0.0 110.169 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -133.27 30.44 3.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.377 -0.827 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -135.27 -51.17 0.76 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.44 -0.788 . . . . 0.0 110.246 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.04 -30.69 3.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -64.88 -48.13 75.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -1.088 . . . . 0.0 110.241 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.68 66.25 0.34 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 134' ' ' GLU . 4.5 mt -134.17 104.11 6.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.401 -1.058 . . . . 0.0 110.232 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 105' ' ' LEU . 35.8 pt -115.53 160.4 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.853 . . . . 0.0 110.222 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.5 m -79.59 160.2 26.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.848 . . . . 0.0 110.257 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.89 -37.52 63.82 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.334 -0.854 . . . . 0.0 110.467 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.19 58.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.832 . . . . 0.0 110.126 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.746 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.9 mt-10 -60.47 -27.72 67.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.325 -0.859 . . . . 0.0 110.145 179.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.847 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -68.48 -45.47 72.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.393 -0.817 . . . . 0.0 110.089 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -66.2 -32.4 73.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.386 -0.821 . . . . 0.0 110.079 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -70.77 -31.39 68.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.41 -0.806 . . . . 0.0 110.143 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 104' ' ' GLU . 69.4 t -77.65 -45.26 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.375 -0.828 . . . . 0.0 110.028 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.447 HD22 ' CD1' ' A' ' 116' ' ' LEU . 25.2 mt -61.79 -32.21 72.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.318 -0.864 . . . . 0.0 110.151 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.9 m -80.1 -31.67 39.2 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.359 -0.838 . . . . 0.0 110.217 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 t -71.07 -38.95 72.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.299 -0.876 . . . . 0.0 110.12 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.43 -27.9 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.384 -0.822 . . . . 0.0 110.147 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.69 29.07 24.91 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.27 165.51 23.52 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.299 -1.118 . . . . 0.0 110.058 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -102.71 49.73 0.83 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.304 -0.872 . . . . 0.0 110.226 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.804 HD11 HD22 ' A' ' 144' ' ' LEU . 16.9 mt -95.62 103.39 15.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.888 . . . . 0.0 110.158 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -59.53 166.89 2.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.429 -0.795 . . . . 0.0 110.255 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -30.97 71.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.386 -0.821 . . . . 0.0 110.246 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.76 88.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.379 -0.825 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -67.19 -52.17 44.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.426 -0.796 . . . . 0.0 110.147 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.483 HG12 ' CD1' ' A' ' 125' ' ' LEU . 58.5 t -62.82 -28.85 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.438 -0.789 . . . . 0.0 110.043 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.54 -42.82 64.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.376 -0.828 . . . . 0.0 110.183 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.9 -28.71 62.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.312 -0.868 . . . . 0.0 110.191 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.584 ' O ' HG23 ' A' ' 128' ' ' VAL . 4.6 mtp -78.25 -42.09 32.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.345 -0.847 . . . . 0.0 110.205 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.57 HD21 HD22 ' A' ' 105' ' ' LEU . 54.5 mt -66.5 -33.51 75.86 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.304 -0.873 . . . . 0.0 110.181 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -67.03 -40.8 87.27 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.425 -0.797 . . . . 0.0 110.226 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -79.88 -32.5 40.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.296 -0.877 . . . . 0.0 110.245 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.648 ' CG1' HG23 ' A' ' 135' ' ' ILE . 67.0 t -82.32 -58.17 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.071 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.3 t -63.22 127.36 30.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.139 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.28 44.7 2.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.315 -0.865 . . . . 0.0 110.327 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.07 80.7 0.21 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.5 m -160.01 -42.73 0.05 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -1.059 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.62 25.2 11.02 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.4 ' HB3' HD22 ' A' ' 99' ' ' LEU . 3.9 mt-10 -160.2 137.62 9.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.433 -1.039 . . . . 0.0 110.129 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.648 HG23 ' CG1' ' A' ' 128' ' ' VAL . 83.0 mt -130.1 134.54 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.282 -0.886 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -79.97 129.66 34.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 110.217 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.623 HD13 ' HB3' ' A' ' 89' ' ' PHE . 6.3 pt -69.44 -12.22 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.412 -0.805 . . . . 0.0 110.699 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.43 -66.95 0.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.185 -0.947 . . . . 0.0 110.251 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -55.71 -43.18 76.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.332 -0.855 . . . . 0.0 110.669 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.847 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.79 -45.32 94.86 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.285 -0.885 . . . . 0.0 110.09 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.45 72.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.377 -0.827 . . . . 0.0 110.128 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.93 -34.24 57.67 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.033 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.23 -35.2 79.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.371 -0.83 . . . . 0.0 110.107 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.804 HD22 HD11 ' A' ' 116' ' ' LEU . 89.2 mt -79.93 -32.53 40.09 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.322 -0.861 . . . . 0.0 110.187 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.399 -0.813 . . . . 0.0 110.177 179.945 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.191 0.52 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -60.39 -36.44 78.09 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.321 -0.862 . . . . 0.0 110.195 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.21 -52.38 63.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.3 -0.875 . . . . 0.0 110.052 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -63.29 -43.49 97.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.306 -0.872 . . . . 0.0 110.09 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.1 mt -66.55 -34.34 69.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -0.901 . . . . 0.0 109.873 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.67 84.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.362 -0.836 . . . . 0.0 109.976 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.38 -49.58 59.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.449 -0.782 . . . . 0.0 109.983 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 23.8 m-85 -62.16 -35.3 78.37 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.383 -0.823 . . . . 0.0 109.876 179.76 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HE2' ' CZ ' ' A' ' 65' ' ' PHE . 11.7 ttmm -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.433 -0.792 . . . . 0.0 110.181 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.37 -51.27 68.26 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.323 -0.86 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.26 82.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.362 -0.836 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.844 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.6 t80 -68.59 -46.95 68.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.315 -0.865 . . . . 0.0 110.232 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -27.54 69.39 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.307 -0.871 . . . . 0.0 110.276 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.77 -35.52 80.87 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.437 -0.789 . . . . 0.0 110.21 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.73 27.94 8.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.339 -0.851 . . . . 0.0 110.328 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 110.211 179.967 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -159.2 136.07 9.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -1.053 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.844 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -124.55 159.94 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.415 -0.803 . . . . 0.0 110.16 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.71 160.01 25.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.412 -0.805 . . . . 0.0 110.221 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -28.01 68.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.363 -0.836 . . . . 0.0 110.188 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -36.5 80.81 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.381 -0.824 . . . . 0.0 110.136 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.9 mt-10 -83.86 -15.7 47.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.848 . . . . 0.0 110.441 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 tp -54.02 -51.04 65.25 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.263 -0.898 . . . . 0.0 110.482 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.4 91.1 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.301 -0.874 . . . . 0.0 110.135 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.5 m -68.24 -38.45 81.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.339 -0.851 . . . . 0.0 110.181 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.5 t -62.74 -35.08 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.35 -0.844 . . . . 0.0 109.904 179.847 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.7 mtt -72.69 -34.42 67.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.285 -0.884 . . . . 0.0 110.008 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -67.5 -34.88 78.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.404 -0.81 . . . . 0.0 110.167 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -80.12 -33.44 38.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.366 -0.833 . . . . 0.0 110.249 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.579 HD13 ' CE ' ' A' ' 72' ' ' MET . 13.2 mt -63.25 -22.07 66.64 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.368 -0.832 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.78 29.66 1.99 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.7 mt -124.28 178.89 5.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.364 -1.08 . . . . 0.0 110.193 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.4 p -167.38 67.81 0.88 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.389 -0.819 . . . . 0.0 110.174 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.1 139.38 29.58 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.72 1.379 . . . . 0.0 110.377 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.5 167.34 2.64 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.335 -0.853 . . . . 0.0 110.056 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -58.87 -27.58 65.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.293 -0.879 . . . . 0.0 110.23 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.65 80.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.365 -0.834 . . . . 0.0 110.031 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -66.93 -39.89 87.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 0.0 110.089 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.74 -37.01 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.327 -0.858 . . . . 0.0 109.871 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -66.97 -35.98 81.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.338 -0.851 . . . . 0.0 110.153 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.93 -44.27 90.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.385 -0.822 . . . . 0.0 110.077 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.608 HD23 HD22 ' A' ' 71' ' ' LEU . 5.6 mt -69.41 -37.15 77.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.34 -0.85 . . . . 0.0 110.089 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.7 mtt -68.87 -31.01 69.65 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.392 -0.818 . . . . 0.0 110.093 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -70.24 -44.54 68.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 110.14 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.67 -27.96 67.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.373 -0.829 . . . . 0.0 110.088 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.432 HD13 ' CD1' ' A' ' 63' ' ' ILE . 2.7 mt -88.02 -53.41 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.837 . . . . 0.0 110.081 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.12 -0.988 . . . . 0.0 110.639 -179.604 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.252 0.549 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.432 ' CD1' HD13 ' A' ' 55' ' ' ILE . 77.4 mt -79.77 126.01 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.831 . . . . 0.0 110.333 -179.587 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.5 160.17 16.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.483 -0.76 . . . . 0.0 109.946 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.809 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.5 t80 -55.12 -25.87 34.64 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.31 -0.868 . . . . 0.0 110.433 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 t -70.92 -57.74 4.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.911 . . . . 0.0 110.043 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.04 -29.75 71.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.462 -0.774 . . . . 0.0 110.137 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.45 -48.63 64.03 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.852 . . . . 0.0 110.073 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.809 HD11 ' CE2' ' A' ' 65' ' ' PHE . 38.7 mt -59.66 -34.32 72.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.242 -0.911 . . . . 0.0 109.952 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.22 -51.2 26.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -0.834 . . . . 0.0 110.087 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.608 HD22 HD23 ' A' ' 51' ' ' LEU . 59.0 mt -62.45 -29.45 70.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.383 -0.823 . . . . 0.0 110.069 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.579 ' CE ' HD13 ' A' ' 39' ' ' LEU . 81.9 mmm -74.67 -36.49 62.81 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.354 -0.842 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 0.0 110.198 179.936 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.291 0.567 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -60.82 -29.56 69.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.315 -0.866 . . . . 0.0 110.043 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.65 -39.68 80.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.415 -0.803 . . . . 0.0 109.957 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mt -63.59 -47.86 79.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.393 -0.817 . . . . 0.0 110.073 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.62 -29.31 70.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.456 -0.777 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.1 -46.75 64.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.364 -0.835 . . . . 0.0 110.07 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.9 95.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.311 -0.868 . . . . 0.0 110.062 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.74 ' HB3' HD13 ' A' ' 137' ' ' ILE . 6.6 m-85 -62.53 -30.9 71.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.368 -0.833 . . . . 0.0 110.085 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -67.18 -43.73 81.43 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.404 -0.81 . . . . 0.0 110.129 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.72 -38.24 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -0.839 . . . . 0.0 109.969 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -76.44 -21.12 56.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.424 -0.798 . . . . 0.0 110.347 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -58.78 171.21 0.68 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.274 -0.891 . . . . 0.0 110.308 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -69.7 0.54 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.382 -0.824 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -111.23 -62.83 1.49 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.302 -0.874 . . . . 0.0 110.188 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.18 40.63 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.82 -55.89 2.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -1.1 . . . . 0.0 110.141 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.1 49.16 0.19 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 81.7 mt -132.45 109.72 10.01 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -1.069 . . . . 0.0 110.175 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 pt -131.4 159.56 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.389 -0.819 . . . . 0.0 110.254 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 m -79.86 160.24 26.13 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.385 -0.822 . . . . 0.0 110.267 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.08 -27.74 34.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.388 -0.82 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.46 -52.75 42.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.374 -0.829 . . . . 0.0 110.045 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 108' ' ' VAL . 33.6 mt-10 -62.8 -38.93 92.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.392 -0.817 . . . . 0.0 110.019 179.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.761 HD21 ' CE1' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -65.77 -36.43 83.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.42 -0.8 . . . . 0.0 110.164 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -68.77 -35.39 77.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.407 -0.808 . . . . 0.0 110.161 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -69.98 -31.9 69.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.358 -0.839 . . . . 0.0 110.173 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 104' ' ' GLU . 68.6 t -74.38 -38.54 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.288 -0.882 . . . . 0.0 110.085 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.3 -28.77 65.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.391 -0.818 . . . . 0.0 110.145 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.6 m -79.7 -43.23 23.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.351 -0.843 . . . . 0.0 110.17 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.0 m -61.55 -44.01 97.82 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.369 -0.832 . . . . 0.0 110.136 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.1 -27.21 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.303 -0.873 . . . . 0.0 110.071 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.19 31.5 52.0 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.58 175.83 0.43 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.339 -1.095 . . . . 0.0 110.243 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -100.94 60.38 0.94 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.354 -0.841 . . . . 0.0 110.217 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.646 HD11 ' CD2' ' A' ' 144' ' ' LEU . 50.7 mt -127.08 116.48 20.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.282 -0.886 . . . . 0.0 110.251 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.0 p -77.9 -179.21 5.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.407 -0.808 . . . . 0.0 110.123 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.97 -38.46 88.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.351 -0.843 . . . . 0.0 110.151 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.93 87.48 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.41 -0.806 . . . . 0.0 110.091 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -66.59 -51.37 57.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.336 -0.852 . . . . 0.0 110.055 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.415 HG12 HD12 ' A' ' 125' ' ' LEU . 87.9 t -62.26 -27.29 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 109.98 179.835 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -69.25 -44.91 70.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.312 -0.868 . . . . 0.0 110.005 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.47 -35.17 68.15 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.414 -0.804 . . . . 0.0 110.109 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.62 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.2 ttp -72.77 -28.79 62.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.396 -0.815 . . . . 0.0 110.046 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.415 HD12 HG12 ' A' ' 121' ' ' VAL . 9.7 mt -73.3 -43.36 61.08 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.366 -0.834 . . . . 0.0 110.203 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -66.82 -33.12 74.92 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 110.244 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.02 -29.74 39.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.364 -0.835 . . . . 0.0 110.426 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.687 HG13 ' NE2' ' A' ' 139' ' ' GLN . 80.7 t -93.72 -52.53 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.335 -0.853 . . . . 0.0 110.293 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.5 t -61.02 112.26 2.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.394 -0.816 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.84 -38.76 2.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.68 -102.16 0.01 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.1 m -142.14 -65.52 0.41 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.332 -1.099 . . . . 0.0 110.236 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -138.59 40.94 1.41 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -144.36 117.3 8.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.414 -1.051 . . . . 0.0 110.107 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 70.8 mt -116.37 147.84 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.297 -0.877 . . . . 0.0 110.171 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -91.11 137.84 32.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 0.0 110.069 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.74 HD13 ' HB3' ' A' ' 89' ' ' PHE . 2.0 pt -74.4 -18.46 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.385 -0.822 . . . . 0.0 110.45 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -61.1 -65.0 0.76 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.294 -0.879 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.687 ' NE2' HG13 ' A' ' 128' ' ' VAL . 6.3 pt20 -54.89 -42.81 72.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.347 -0.846 . . . . 0.0 110.495 -179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.761 ' CE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.16 -43.75 98.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.358 -0.839 . . . . 0.0 110.122 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.95 -32.37 72.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.383 -0.823 . . . . 0.0 110.123 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.5 -43.42 76.88 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.432 -0.792 . . . . 0.0 110.086 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.62 HD13 ' CG ' ' A' ' 124' ' ' MET . 5.2 mt -62.32 -33.98 75.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.297 -0.877 . . . . 0.0 110.096 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.646 ' CD2' HD11 ' A' ' 116' ' ' LEU . 88.4 mt -79.84 -37.93 33.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.416 -0.803 . . . . 0.0 110.105 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.315 -0.866 . . . . 0.0 110.172 179.993 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.108 0.48 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.83 -36.22 82.5 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.323 -0.861 . . . . 0.0 110.112 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -69.4 -37.97 77.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.285 -0.885 . . . . 0.0 110.016 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -70.61 -44.41 67.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.425 -0.797 . . . . 0.0 110.018 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.4 mt -66.31 -32.16 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.4 -0.812 . . . . 0.0 109.848 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.69 71.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.415 -0.803 . . . . 0.0 109.98 179.7 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -50.14 63.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.409 -0.807 . . . . 0.0 109.967 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.425 ' CD1' ' HE2' ' A' ' 72' ' ' MET . 25.3 m-85 -60.7 -35.15 75.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.33 -0.856 . . . . 0.0 110.05 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -63.52 -39.25 93.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.373 -0.829 . . . . 0.0 109.968 179.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.22 -53.57 50.96 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.413 -0.804 . . . . 0.0 110.065 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.7 88.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.0 109.983 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.592 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.7 t80 -67.39 -42.32 83.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.379 -0.826 . . . . 0.0 109.942 179.754 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.51 71.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.419 -0.801 . . . . 0.0 110.153 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.11 -30.66 70.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.841 . . . . 0.0 110.06 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.44 ' O ' HG22 ' A' ' 27' ' ' ILE . 92.4 m-85 -109.45 21.6 16.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.389 -0.819 . . . . 0.0 110.285 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.353 -0.842 . . . . 0.0 110.141 179.961 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 p -143.88 118.64 9.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.369 -1.077 . . . . 0.0 110.185 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.592 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.3 pt -117.06 159.19 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.387 -0.821 . . . . 0.0 110.338 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 m -84.01 160.19 21.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.369 -0.832 . . . . 0.0 110.343 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -59.78 -41.18 90.54 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.35 -0.844 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.46 -27.14 46.39 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.282 -0.886 . . . . 0.0 110.373 -179.741 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.852 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.0 mt-10 -91.01 -16.24 28.27 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.32 -0.863 . . . . 0.0 110.434 179.786 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.01 -55.89 28.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.206 -0.934 . . . . 0.0 110.359 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.66 -31.53 69.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.425 -0.797 . . . . 0.0 110.099 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.7 m -72.45 -38.0 68.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.461 -0.775 . . . . 0.0 109.995 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 31' ' ' GLU . 80.8 t -62.51 -38.19 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.4 -0.812 . . . . 0.0 109.832 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.0 mtt -71.89 -34.44 69.16 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.4 -0.813 . . . . 0.0 109.869 179.724 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.04 73.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.412 -0.805 . . . . 0.0 110.151 179.874 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.73 -31.43 41.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 110.112 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.07 -26.39 63.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.323 -0.86 . . . . 0.0 110.257 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.06 39.2 0.53 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 mt -123.78 174.44 7.5 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.402 -1.058 . . . . 0.0 110.085 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.9 62.62 0.68 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.303 -0.873 . . . . 0.0 110.178 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.05 137.92 27.29 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 O-C-N 123.705 1.371 . . . . 0.0 110.4 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.61 169.82 1.23 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.364 -0.835 . . . . 0.0 110.073 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -28.28 66.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.325 -0.859 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.39 82.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.367 -0.833 . . . . 0.0 110.042 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.94 -42.51 94.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.324 -0.86 . . . . 0.0 109.932 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.85 -40.69 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.426 -0.797 . . . . 0.0 109.87 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -61.73 -37.16 83.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -62.73 -50.18 72.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.085 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD23 HD22 ' A' ' 71' ' ' LEU . 10.1 mt -62.47 -43.88 97.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.3 -0.875 . . . . 0.0 109.99 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 mtt -67.54 -39.62 85.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.421 -0.799 . . . . 0.0 110.084 179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -63.69 -26.72 68.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 109.984 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.66 -28.19 30.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.248 -0.908 . . . . 0.0 109.791 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.481 HD13 HD11 ' A' ' 63' ' ' ILE . 4.4 mt -84.29 -50.98 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 110.128 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.295 -0.878 . . . . 0.0 110.637 -179.565 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.183 0.516 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.481 HD11 HD13 ' A' ' 55' ' ' ILE . 83.3 mt -84.1 120.51 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.402 -0.811 . . . . 0.0 110.137 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -86.99 160.11 18.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.314 -0.866 . . . . 0.0 110.063 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.67 ' CE2' HD11 ' A' ' 69' ' ' LEU . 17.0 t80 -56.27 -27.19 54.39 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.287 -0.883 . . . . 0.0 110.327 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.6 p -69.1 -55.78 9.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.302 -0.874 . . . . 0.0 110.027 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.1 -30.42 71.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.378 -0.826 . . . . 0.0 110.006 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -66.45 -48.43 69.96 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.385 -0.822 . . . . 0.0 110.079 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.67 HD11 ' CE2' ' A' ' 65' ' ' PHE . 35.8 mt -59.24 -42.76 91.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.396 -0.815 . . . . 0.0 110.153 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.0 96.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.372 -0.83 . . . . 0.0 110.009 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.549 HD22 HD23 ' A' ' 51' ' ' LEU . 55.7 mt -62.1 -41.34 98.11 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.418 -0.801 . . . . 0.0 109.991 179.809 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.425 ' HE2' ' CD1' ' A' ' 12' ' ' PHE . 96.3 mmm -63.76 -34.87 78.85 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.43 -0.794 . . . . 0.0 109.889 179.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.45 -0.781 . . . . 0.0 109.98 179.764 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.202 0.525 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -53.03 -41.26 64.57 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.353 -0.842 . . . . 0.0 110.475 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.6 -42.21 98.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.121 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.07 -46.9 88.77 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.417 -0.802 . . . . 0.0 110.066 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.74 -28.78 69.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.206 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 91' ' ' VAL . 17.4 tp10 -67.33 -46.36 73.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.37 -0.831 . . . . 0.0 110.117 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.21 83.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.381 -0.825 . . . . 0.0 110.11 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.557 ' HB3' HD13 ' A' ' 137' ' ' ILE . 14.5 m-85 -60.81 -34.17 74.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.308 -0.87 . . . . 0.0 110.144 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -68.39 -40.1 81.49 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.304 -0.872 . . . . 0.0 110.087 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 87' ' ' GLU . 65.7 t -63.74 -34.35 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.326 -0.859 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CD1' HG22 ' A' ' 108' ' ' VAL . 9.4 m-85 -73.79 -34.52 64.67 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.332 -0.855 . . . . 0.0 110.217 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.43 97.3 9.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.866 . . . . 0.0 110.157 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.83 -27.31 23.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 110.359 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -60.91 -28.18 68.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.362 -0.836 . . . . 0.0 110.283 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.52 33.51 8.52 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.22 -64.04 1.37 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.366 -1.079 . . . . 0.0 110.145 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.4 -24.31 5.0 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.91 104.47 10.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -1.137 . . . . 0.0 110.329 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.3 pt -111.98 160.45 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.37 -0.831 . . . . 0.0 110.135 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -79.49 160.16 26.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.36 -0.838 . . . . 0.0 110.28 -179.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.96 -32.94 48.83 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.366 -0.834 . . . . 0.0 110.462 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.01 -56.73 17.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.83 . . . . 0.0 110.173 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.801 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.4 mt-10 -61.46 -30.9 70.89 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.402 -0.811 . . . . 0.0 109.961 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.61 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -70.0 -42.47 72.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 109.965 179.868 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -62.53 -42.34 99.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.354 -0.841 . . . . 0.0 109.946 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.11 -40.25 97.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.883 . . . . 0.0 110.035 179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.5 t -62.83 -45.31 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.402 -0.811 . . . . 0.0 109.957 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -30.76 70.53 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.33 -0.857 . . . . 0.0 110.065 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.3 m -80.0 -42.47 23.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.434 -0.791 . . . . 0.0 110.177 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.6 m -62.46 -42.37 99.43 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.438 -0.789 . . . . 0.0 110.15 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.538 HD11 HG12 ' A' ' 108' ' ' VAL . 64.9 mt -59.65 -21.84 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.844 . . . . 0.0 110.311 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.07 25.43 44.71 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.05 152.36 39.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -1.117 . . . . 0.0 110.09 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.55 25.74 3.81 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.316 -0.865 . . . . 0.0 110.043 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 3.3 mm? -68.01 112.93 5.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.374 -0.829 . . . . 0.0 110.252 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.3 p -69.66 164.95 22.26 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.365 -0.834 . . . . 0.0 110.162 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.4 -28.77 68.5 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.312 -0.867 . . . . 0.0 110.136 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.26 74.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.291 -0.881 . . . . 0.0 110.074 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.23 -52.03 51.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.36 -0.837 . . . . 0.0 110.034 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.607 HG12 HD12 ' A' ' 125' ' ' LEU . 97.6 t -61.95 -27.33 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.348 -0.845 . . . . 0.0 109.855 179.709 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.25 -48.71 49.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.467 -0.77 . . . . 0.0 110.096 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.0 -29.06 64.91 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 0.0 110.077 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 128' ' ' VAL . 3.3 ttp -80.01 -28.86 39.35 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.46 -0.775 . . . . 0.0 110.081 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.607 HD12 HG12 ' A' ' 121' ' ' VAL . 11.5 mt -74.11 -36.66 64.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.455 -0.778 . . . . 0.0 110.168 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -34.25 77.72 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.36 -0.838 . . . . 0.0 110.223 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.98 -29.81 39.62 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.385 -0.822 . . . . 0.0 110.361 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 124' ' ' MET . 64.9 t -89.88 -36.39 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.329 -0.857 . . . . 0.0 110.256 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.7 p -60.94 102.23 0.19 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.279 -0.888 . . . . 0.0 110.239 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -167.45 33.43 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.376 -0.828 . . . . 0.0 110.238 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -127.54 -86.47 0.54 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 m -142.22 -61.56 0.45 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.31 -1.112 . . . . 0.0 110.223 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -157.26 -45.06 0.02 OUTLIER Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -80.62 153.84 27.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.434 -1.039 . . . . 0.0 110.205 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.435 HG23 HG12 ' A' ' 128' ' ' VAL . 80.7 mt -119.77 146.82 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.371 -0.83 . . . . 0.0 110.086 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -82.34 136.24 35.04 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.399 -0.813 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.557 HD13 ' HB3' ' A' ' 89' ' ' PHE . 16.8 pt -73.85 -21.14 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.807 . . . . 0.0 110.366 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -54.64 43.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.287 -0.883 . . . . 0.0 110.193 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -62.26 -41.76 98.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.417 -0.802 . . . . 0.0 110.148 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.61 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -66.86 -46.03 76.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.018 179.886 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.72 73.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.36 -0.838 . . . . 0.0 110.168 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.72 -27.62 50.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.356 -0.84 . . . . 0.0 110.154 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.77 -30.88 63.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.395 -0.816 . . . . 0.0 110.208 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.491 HD21 ' CE ' ' A' ' 124' ' ' MET . 87.6 mt -78.58 -27.04 45.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.29 -0.881 . . . . 0.0 110.204 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.421 -0.799 . . . . 0.0 110.171 179.966 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.194 0.521 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.44 -37.04 79.68 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 110.35 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -65.26 -47.49 76.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.332 -0.855 . . . . 0.0 110.04 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 4.5 mt-30 -67.33 -43.32 81.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -0.805 . . . . 0.0 109.941 179.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.03 -31.48 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.392 -0.817 . . . . 0.0 109.939 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.62 -41.82 75.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 0.0 109.958 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -59.36 -52.28 66.33 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.332 -0.855 . . . . 0.0 109.766 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.438 ' CE1' ' CE ' ' A' ' 72' ' ' MET . 22.9 m-85 -60.13 -30.13 69.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.423 -0.798 . . . . 0.0 109.415 179.374 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -60.84 -46.33 90.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.566 -0.709 . . . . 0.0 109.926 179.579 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.07 -44.25 96.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.454 -0.779 . . . . 0.0 110.153 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -70.86 -35.73 72.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.359 -0.838 . . . . 0.0 110.197 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.543 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.5 t80 -71.03 -48.47 52.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.393 -0.817 . . . . 0.0 110.098 179.871 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.7 67.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.386 -0.821 . . . . 0.0 110.178 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 15' ' ' ALA . 7.5 mt -64.17 -37.01 85.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.34 -0.85 . . . . 0.0 110.225 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -105.14 26.48 9.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.357 -0.84 . . . . 0.0 110.243 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 179.94 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.443 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -146.49 129.35 16.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -1.063 . . . . 0.0 110.316 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.543 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -121.32 155.35 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.367 -0.833 . . . . 0.0 110.175 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.42 158.72 24.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -29.35 70.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.313 -0.867 . . . . 0.0 110.15 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 t -59.79 -28.88 67.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.437 -0.789 . . . . 0.0 110.183 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 35' ' ' VAL . 37.3 mt-10 -97.47 -12.62 22.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.367 -0.833 . . . . 0.0 110.375 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 HD13 ' A' ' 55' ' ' ILE . 45.5 tp -57.03 -52.74 64.07 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.237 -0.914 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.4 -36.28 71.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.354 -0.841 . . . . 0.0 110.208 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.3 m -69.86 -37.23 76.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.403 -0.811 . . . . 0.0 109.892 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.7 t -61.58 -36.79 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.391 -0.818 . . . . 0.0 109.942 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 mtt -71.38 -38.21 71.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.016 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -66.19 -34.81 78.88 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.405 -0.81 . . . . 0.0 110.211 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.01 -33.59 39.13 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.147 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.424 HD13 ' CE ' ' A' ' 72' ' ' MET . 5.7 mt -64.45 -22.69 67.04 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.319 -0.863 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.48 31.62 1.63 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 mt -122.57 -177.74 3.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -1.093 . . . . 0.0 110.185 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.4 t -168.76 70.05 0.75 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.842 . . . . 0.0 110.17 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.0 137.67 26.98 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.765 1.402 . . . . 0.0 110.378 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -62.17 171.7 1.71 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.159 179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.25 -28.3 67.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.292 -0.88 . . . . 0.0 110.116 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.42 73.21 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 110.09 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.45 -31.08 70.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.39 -0.819 . . . . 0.0 109.993 179.83 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 44' ' ' SER . 62.9 t -74.31 -44.47 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.829 . . . . 0.0 109.898 179.871 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.67 -35.21 79.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.361 -0.837 . . . . 0.0 109.945 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.01 -47.5 74.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.391 -0.818 . . . . 0.0 110.0 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.673 ' O ' HD12 ' A' ' 55' ' ' ILE . 91.0 mt -66.82 -37.49 84.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.838 . . . . 0.0 110.025 179.773 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.4 mtt -70.75 -31.87 68.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.875 . . . . 0.0 110.043 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -67.59 -38.69 84.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.378 -0.826 . . . . 0.0 110.079 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -76.55 -29.03 56.51 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.455 -0.778 . . . . 0.0 110.071 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 51' ' ' LEU . 9.3 mt -90.34 -62.32 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.361 -0.837 . . . . 0.0 109.992 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.332 -0.855 . . . . 0.0 110.399 -179.883 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.225 0.536 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.549 HD11 HG21 ' A' ' 55' ' ' ILE . 74.0 mt -79.92 132.59 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.298 -0.876 . . . . 0.0 110.108 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -90.89 160.16 15.84 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.344 -0.848 . . . . 0.0 110.071 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.777 ' CE2' HD11 ' A' ' 69' ' ' LEU . 27.5 t80 -58.35 -33.32 69.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.212 -0.93 . . . . 0.0 110.203 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 p -65.65 -55.22 18.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.411 -0.806 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -62.62 -36.12 81.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.348 -0.845 . . . . 0.0 110.09 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.42 ' CE2' ' HG3' ' A' ' 72' ' ' MET . 90.5 t80 -63.97 -45.26 89.88 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.386 -0.821 . . . . 0.0 110.027 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.777 HD11 ' CE2' ' A' ' 65' ' ' PHE . 38.3 mt -58.49 -43.02 88.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.349 -0.844 . . . . 0.0 110.137 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.47 -49.08 75.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.3 -0.875 . . . . 0.0 110.048 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.555 HD13 HD11 ' A' ' 55' ' ' ILE . 17.4 mt -61.48 -39.51 91.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.385 -0.822 . . . . 0.0 110.081 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.438 ' CE ' ' CE1' ' A' ' 12' ' ' PHE . 86.4 mmm -62.66 -41.43 99.06 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.317 -0.865 . . . . 0.0 110.082 179.891 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.192 0.52 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 86' ' ' LEU . 12.9 mp0 -60.85 -37.17 81.19 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.327 -0.858 . . . . 0.0 110.099 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.78 -33.4 75.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.375 -0.828 . . . . 0.0 110.056 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.64 -43.26 80.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.381 -0.824 . . . . 0.0 110.126 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 83' ' ' GLN . 8.9 mt -62.9 -38.03 89.32 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.356 -0.84 . . . . 0.0 110.087 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.643 ' O ' HG23 ' A' ' 91' ' ' VAL . 8.7 mm-40 -65.22 -45.74 83.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.42 -0.8 . . . . 0.0 110.157 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.42 -46.23 84.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.394 -0.817 . . . . 0.0 110.113 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.684 ' HB3' HD13 ' A' ' 137' ' ' ILE . 5.4 m-85 -60.95 -31.83 71.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.376 -0.827 . . . . 0.0 110.057 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -71.48 -39.13 71.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 110.066 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 87' ' ' GLU . 60.5 t -61.92 -40.25 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.792 . . . . 0.0 109.957 179.901 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -70.14 -27.23 64.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.373 -0.83 . . . . 0.0 110.241 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -72.5 -156.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.33 -0.856 . . . . 0.0 110.23 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -110.84 -73.51 0.68 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 110.227 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -113.15 -50.65 2.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.86 . . . . 0.0 110.215 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.88 42.41 0.02 OUTLIER Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 32.1 p-10 -94.42 -23.99 17.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.364 -1.08 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.61 51.47 6.5 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 99' ' ' LEU . 16.5 mt -146.52 93.73 2.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.384 -1.068 . . . . 0.0 110.195 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.666 HD11 HD12 ' A' ' 105' ' ' LEU . 36.0 pt -114.32 160.44 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.383 -0.823 . . . . 0.0 110.229 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.0 m -79.7 160.24 26.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.391 -0.818 . . . . 0.0 110.239 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.36 63.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.325 -0.86 . . . . 0.0 110.487 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.68 -58.5 7.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.315 -0.866 . . . . 0.0 110.089 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.5 mm-40 -59.47 -28.95 67.47 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.398 -0.814 . . . . 0.0 110.05 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.666 HD12 HD11 ' A' ' 100' ' ' ILE . 2.3 tp -68.7 -43.21 76.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.435 -0.791 . . . . 0.0 110.138 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -65.47 -39.68 92.28 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.367 -0.833 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -64.35 -38.97 92.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 110.241 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 104' ' ' GLU . 92.3 t -62.55 -44.14 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.381 -0.825 . . . . 0.0 110.101 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.488 HD22 HG22 ' A' ' 121' ' ' VAL . 1.1 mp -61.56 -36.24 80.07 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.422 -0.798 . . . . 0.0 110.169 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.4 m -79.97 -37.46 34.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.351 -0.843 . . . . 0.0 110.186 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -63.18 -42.61 99.4 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.383 -0.823 . . . . 0.0 110.176 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 70.2 mt -61.91 -29.44 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.444 -0.785 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.16 28.3 20.8 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.22 147.0 40.71 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.428 -1.043 . . . . 0.0 110.091 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -82.07 58.47 3.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.357 -0.839 . . . . 0.0 110.237 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 116' ' ' LEU . 65.5 mt -123.31 104.76 9.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.343 -0.848 . . . . 0.0 110.191 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.8 p -67.47 -176.56 0.61 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.323 -0.861 . . . . 0.0 110.224 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -67.65 -27.57 66.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.382 -0.824 . . . . 0.0 110.212 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.12 83.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.323 -0.861 . . . . 0.0 110.131 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.67 -47.75 82.31 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 110.142 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.609 HG12 HD12 ' A' ' 125' ' ' LEU . 59.4 t -61.02 -32.36 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.303 -0.873 . . . . 0.0 109.983 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.18 -47.38 80.06 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.379 -0.826 . . . . 0.0 110.015 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -31.65 72.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.067 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.504 ' SD ' HD13 ' A' ' 143' ' ' LEU . 14.9 ttp -80.09 -29.55 39.09 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.425 -0.797 . . . . 0.0 110.123 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.609 HD12 HG12 ' A' ' 121' ' ' VAL . 1.1 mt -67.42 -40.15 85.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.848 . . . . 0.0 110.136 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -68.08 -30.78 70.05 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.383 -0.823 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -26.48 39.44 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.329 -0.857 . . . . 0.0 110.389 -179.843 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.681 HG12 HG23 ' A' ' 135' ' ' ILE . 65.5 t -96.9 -37.56 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 110.209 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.8 p -60.91 119.04 7.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.324 -0.86 . . . . 0.0 110.27 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -167.28 33.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.36 -0.837 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.49 -77.05 0.14 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -158.35 -63.62 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -1.096 . . . . 0.0 110.134 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.07 29.98 0.59 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -143.59 156.07 44.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -1.068 . . . . 0.0 110.225 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.681 HG23 HG12 ' A' ' 128' ' ' VAL . 82.5 mt -133.64 148.89 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 110.164 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -92.6 140.46 29.52 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.398 -0.813 . . . . 0.0 110.208 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.684 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.0 pt -72.21 -16.32 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.375 -0.828 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -56.68 19.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.225 -0.922 . . . . 0.0 110.382 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -63.46 -44.89 93.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.346 -0.846 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.632 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.11 -46.9 82.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.363 -0.836 . . . . 0.0 110.23 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.24 -28.53 69.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.281 -0.887 . . . . 0.0 110.274 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.25 -32.29 58.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.385 -0.822 . . . . 0.0 110.249 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.504 HD13 ' SD ' ' A' ' 124' ' ' MET . 1.3 mt -74.71 -38.3 62.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 0.0 110.243 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.5 mt -69.45 -27.25 65.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.315 -0.865 . . . . 0.0 110.21 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.327 -0.858 . . . . 0.0 110.155 179.987 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.145 0.498 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 8.6 mt-10 -63.42 -33.55 75.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.235 -0.916 . . . . 0.0 110.142 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -66.9 -47.67 71.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.334 -0.854 . . . . 0.0 109.967 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -67.86 -43.96 78.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.808 . . . . 0.0 109.89 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -67.75 -30.19 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.348 -0.845 . . . . 0.0 109.803 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -68.79 -34.96 76.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.358 -0.838 . . . . 0.0 109.788 179.583 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -67.74 -49.46 62.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.47 -0.769 . . . . 0.0 109.895 179.675 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CD1' ' HE2' ' A' ' 72' ' ' MET . 25.6 m-85 -60.5 -39.68 88.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.303 -0.873 . . . . 0.0 109.898 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 15.3 ttmt -58.91 -41.44 87.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.404 -0.81 . . . . 0.0 110.245 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.16 -57.05 14.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.459 -0.776 . . . . 0.0 110.099 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.24 -23.62 67.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.776 ' CE1' HG23 ' A' ' 27' ' ' ILE . 8.9 t80 -80.17 -38.86 30.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.147 -0.97 . . . . 0.0 110.088 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -24.8 63.47 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.384 -0.822 . . . . 0.0 110.286 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -72.31 -26.22 61.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -117.16 24.04 11.44 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.295 -0.878 . . . . 0.0 110.392 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.52 ' HA ' HG22 ' A' ' 27' ' ' ILE . 52.8 p-10 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.225 -0.922 . . . . 0.0 110.339 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.3 p -126.4 156.13 41.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.391 -1.064 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.776 HG23 ' CE1' ' A' ' 16' ' ' PHE . 42.4 pt -118.88 160.12 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.34 -0.85 . . . . 0.0 110.273 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.58 158.04 23.24 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.332 -0.855 . . . . 0.0 110.075 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -28.91 70.01 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.4 -0.813 . . . . 0.0 110.218 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -62.31 -36.39 82.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.348 -0.845 . . . . 0.0 110.236 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.781 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.9 mt-10 -85.21 -10.98 55.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.361 -0.837 . . . . 0.0 110.459 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.2 tp -57.85 -49.53 76.36 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.19 -0.944 . . . . 0.0 110.477 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.13 88.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.268 -0.895 . . . . 0.0 110.331 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.3 m -68.0 -41.25 82.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.306 -0.871 . . . . 0.0 110.124 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.2 t -61.83 -32.63 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.419 -0.8 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.8 mtt -74.17 -33.81 63.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.86 . . . . 0.0 109.967 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -66.78 -34.52 78.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.429 -0.794 . . . . 0.0 110.174 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -29.28 38.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.376 -0.828 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 39' ' ' LEU . 13.3 mt -73.37 -23.88 60.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.323 -0.861 . . . . 0.0 110.244 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.15 35.07 0.9 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.1 mt -124.28 164.56 19.32 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.304 -1.115 . . . . 0.0 110.062 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 t -160.13 66.98 2.69 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 0.0 110.2 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.75 137.3 24.55 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.673 1.354 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -62.07 175.12 0.74 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.394 -0.817 . . . . 0.0 110.084 179.863 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.82 -28.3 68.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 110.19 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.51 -42.0 71.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.309 -0.869 . . . . 0.0 110.053 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.13 -40.94 95.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.408 -0.808 . . . . 0.0 110.112 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 44' ' ' SER . 56.6 t -63.1 -40.71 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.432 -0.793 . . . . 0.0 109.942 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -41.73 97.59 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.367 -0.833 . . . . 0.0 110.068 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.34 -48.13 82.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 110.093 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.402 HD23 HD22 ' A' ' 71' ' ' LEU . 8.2 mt -62.4 -44.27 96.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.437 -0.789 . . . . 0.0 110.112 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 mtt -66.84 -28.81 68.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.342 -0.849 . . . . 0.0 109.921 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -67.15 -38.87 86.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.411 -0.806 . . . . 0.0 110.006 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -74.15 -30.91 62.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.347 -0.846 . . . . 0.0 109.996 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.43 HD13 HD11 ' A' ' 63' ' ' ILE . 20.6 mt -85.53 -60.74 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.428 -0.795 . . . . 0.0 109.92 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.391 -0.818 . . . . 0.0 110.188 -179.929 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.158 0.504 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.43 HD11 HD13 ' A' ' 55' ' ' ILE . 81.0 mt -80.09 121.2 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.16 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.06 160.27 18.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.37 -0.831 . . . . 0.0 109.999 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.622 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.9 t80 -56.58 -27.26 57.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.303 -0.873 . . . . 0.0 110.383 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.8 t -69.6 -54.97 11.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.345 -0.847 . . . . 0.0 110.009 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.98 -29.41 70.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.823 . . . . 0.0 110.055 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.46 -48.64 66.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.317 -0.865 . . . . 0.0 110.058 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.622 HD11 ' CE2' ' A' ' 65' ' ' PHE . 38.9 mt -58.77 -42.54 89.17 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.299 -0.875 . . . . 0.0 109.992 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.14 -47.08 75.24 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.467 -0.77 . . . . 0.0 109.855 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.402 HD22 HD23 ' A' ' 51' ' ' LEU . 24.6 mt -62.36 -35.21 78.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.398 -0.814 . . . . 0.0 109.909 179.703 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.468 ' HE2' ' CD1' ' A' ' 12' ' ' PHE . 86.1 mmm -68.81 -37.4 79.21 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.396 -0.815 . . . . 0.0 109.873 179.675 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.452 -0.78 . . . . 0.0 109.99 179.881 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.221 0.534 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -58.63 -36.71 74.49 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.37 -0.831 . . . . 0.0 110.217 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.87 -29.84 70.98 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.292 -0.88 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.83 -48.12 33.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.381 -0.825 . . . . 0.0 110.028 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.2 -27.02 69.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.831 . . . . 0.0 110.076 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 91' ' ' VAL . 2.9 tp10 -75.31 -48.49 22.92 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.427 -0.796 . . . . 0.0 110.235 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.16 78.76 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.346 -0.846 . . . . 0.0 110.193 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HB3' HD13 ' A' ' 137' ' ' ILE . 20.3 m-85 -62.28 -35.13 78.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.269 -0.895 . . . . 0.0 110.16 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -63.01 -33.97 76.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.343 -0.848 . . . . 0.0 110.268 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 87' ' ' GLU . 61.4 t -80.38 -27.66 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.353 -0.842 . . . . 0.0 110.405 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.454 ' CE2' HG22 ' A' ' 108' ' ' VAL . 6.8 m-85 -80.03 -10.39 59.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.267 -0.896 . . . . 0.0 111.086 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -60.02 -164.91 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.067 -1.02 . . . . 0.0 110.27 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -129.41 -59.49 1.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.316 -0.865 . . . . 0.0 110.241 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.91 -74.24 0.61 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.358 -0.839 . . . . 0.0 110.203 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.07 -49.41 0.02 OUTLIER Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.96 129.97 43.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -1.079 . . . . 0.0 110.211 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.27 88.9 0.06 OUTLIER Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.1 mt -136.74 103.43 5.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.41 -1.053 . . . . 0.0 110.201 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.633 HD11 HD12 ' A' ' 105' ' ' LEU . 36.8 pt -119.76 158.75 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.381 -0.824 . . . . 0.0 110.24 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.8 t -80.02 160.19 25.94 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.413 -0.805 . . . . 0.0 110.156 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.32 -30.26 50.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.365 -0.834 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.84 -54.08 26.03 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.835 . . . . 0.0 110.047 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.701 ' O ' HG23 ' A' ' 108' ' ' VAL . 26.2 mt-10 -62.02 -32.37 72.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.347 -0.846 . . . . 0.0 109.925 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.633 HD12 HD11 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -69.31 -42.82 74.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.382 -0.824 . . . . 0.0 109.988 179.86 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -62.44 -41.18 98.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.393 -0.817 . . . . 0.0 110.097 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -66.22 -32.99 74.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.406 -0.809 . . . . 0.0 110.097 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.6 t -79.97 -40.85 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.466 -0.771 . . . . 0.0 110.077 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -65.83 -31.29 72.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.258 -179.824 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.3 m -80.17 -37.79 32.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 110.352 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.8 t -61.07 -35.34 76.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.322 -0.861 . . . . 0.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 109' ' ' LEU . 62.6 mt -65.64 -28.25 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.304 -0.873 . . . . 0.0 110.039 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.55 37.07 58.41 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.66 176.08 0.71 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.436 -1.038 . . . . 0.0 110.167 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.25 52.28 2.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.367 -0.833 . . . . 0.0 110.096 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 116' ' ' LEU . 72.3 mt -135.54 131.5 36.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.227 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.8 p -84.96 -167.86 1.99 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.358 -0.839 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -74.36 -34.9 63.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -0.796 . . . . 0.0 110.257 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.35 86.94 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.349 -0.844 . . . . 0.0 110.205 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.56 -50.68 62.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -60.12 -27.23 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.347 -0.846 . . . . 0.0 110.165 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.92 -48.4 63.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.2 -27.0 68.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.458 -0.776 . . . . 0.0 110.17 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.59 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.1 ttp -78.65 -28.1 45.38 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.83 . . . . 0.0 110.268 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.73 -38.2 62.35 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.331 -0.856 . . . . 0.0 110.172 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -65.39 -34.3 77.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.385 -0.822 . . . . 0.0 110.252 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.1 -39.41 29.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.353 -0.842 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 124' ' ' MET . 60.4 t -80.58 -51.38 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.379 -0.825 . . . . 0.0 110.148 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.3 t -70.25 115.23 9.2 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.308 -0.87 . . . . 0.0 110.188 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -108.64 28.5 8.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.405 -0.809 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.19 56.97 3.3 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 t -126.42 -44.68 1.69 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.337 -1.096 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 127.88 -63.98 0.6 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.56 155.75 16.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.292 -1.122 . . . . 0.0 110.177 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 87.7 mt -126.06 146.05 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 0.0 110.162 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -80.12 126.72 31.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.433 -0.792 . . . . 0.0 110.162 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.57 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.5 pt -68.5 -18.01 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.43 -0.794 . . . . 0.0 110.499 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -69.21 -43.42 74.14 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.241 -0.912 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -68.7 -43.55 75.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.41 -0.806 . . . . 0.0 110.243 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.597 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.31 -42.56 96.29 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.279 -0.888 . . . . 0.0 110.134 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.56 80.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 110.223 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.45 69.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.44 -0.788 . . . . 0.0 110.156 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.59 HD13 ' CG ' ' A' ' 124' ' ' MET . 8.9 mt -70.23 -30.59 67.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.383 -0.823 . . . . 0.0 110.113 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.92 -18.32 50.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.446 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.244 -0.91 . . . . 0.0 110.317 -179.88 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.151 0.5 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.19 -34.33 72.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.392 -0.817 . . . . 0.0 110.285 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.32 -50.02 67.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.404 -0.81 . . . . 0.0 110.102 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 6.5 mt-30 -64.25 -41.46 96.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -0.809 . . . . 0.0 110.131 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.46 -32.39 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.274 -0.891 . . . . 0.0 109.953 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.1 -35.63 76.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.347 -0.846 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.18 -49.72 63.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.277 -0.889 . . . . 0.0 110.136 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 23.3 m-85 -61.72 -34.39 75.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.096 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -63.64 -41.94 98.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.311 -0.868 . . . . 0.0 110.066 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.97 -48.31 80.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.408 -0.808 . . . . 0.0 110.142 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.48 -35.71 80.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.361 -0.837 . . . . 0.0 110.197 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.77 ' CE1' HG23 ' A' ' 27' ' ' ILE . 4.7 t80 -67.44 -50.22 60.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.385 -0.822 . . . . 0.0 110.223 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.97 68.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.377 -0.827 . . . . 0.0 110.241 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 15' ' ' ALA . 3.5 mt -62.0 -36.24 80.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.399 -0.813 . . . . 0.0 110.168 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -106.81 27.09 9.26 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.376 -0.828 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.407 -0.808 . . . . 0.0 110.133 179.99 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.1 p -146.7 136.99 23.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -1.115 . . . . 0.0 110.164 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.77 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.5 pt -120.88 159.63 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.81 160.03 21.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -63.4 -28.74 70.19 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.341 -0.849 . . . . 0.0 110.229 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -61.72 -28.66 69.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.301 -0.875 . . . . 0.0 110.243 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 12.1 mt-10 -95.89 -12.14 25.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.385 -0.822 . . . . 0.0 110.531 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 58.9 tp -56.09 -55.49 32.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.245 -0.909 . . . . 0.0 110.347 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.16 70.68 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.289 -0.882 . . . . 0.0 110.189 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.5 m -70.59 -38.78 74.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.424 -0.797 . . . . 0.0 110.061 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 31' ' ' GLU . 82.3 t -62.09 -36.16 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.41 -0.806 . . . . 0.0 109.885 179.864 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.3 mtt -72.44 -34.84 68.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.443 -0.786 . . . . 0.0 109.933 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -66.42 -33.55 75.97 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.429 -0.795 . . . . 0.0 110.15 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 m -79.15 -31.33 43.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.818 . . . . 0.0 110.19 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mt -68.33 -21.13 64.76 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.331 -0.855 . . . . 0.0 110.362 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.89 31.91 1.66 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.7 mt -122.32 176.77 5.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.37 -1.077 . . . . 0.0 110.19 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -168.77 69.9 0.74 Allowed Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.113 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.72 138.48 29.15 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.744 1.391 . . . . 0.0 110.365 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.39 167.87 0.89 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.288 -0.883 . . . . 0.0 110.139 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.23 -29.69 67.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.406 -0.809 . . . . 0.0 110.098 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.52 -41.73 72.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -0.831 . . . . 0.0 110.01 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.02 -40.68 96.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.443 -0.786 . . . . 0.0 109.962 179.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.2 -49.19 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.398 -0.814 . . . . 0.0 109.936 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.24 -46.1 65.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.327 -0.858 . . . . 0.0 110.428 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -56.7 -47.07 80.72 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.237 -0.915 . . . . 0.0 109.941 179.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.469 HD22 HD22 ' A' ' 71' ' ' LEU . 28.6 mt -65.52 -51.81 57.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.464 -0.772 . . . . 0.0 109.845 179.658 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.493 ' HE3' ' HB3' ' A' ' 32' ' ' LEU . 1.3 mpt? -63.33 -25.96 68.55 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.359 -0.838 . . . . 0.0 110.159 179.849 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -68.98 -39.25 79.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.352 -0.842 . . . . 0.0 109.839 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -75.25 -31.85 60.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.475 -0.766 . . . . 0.0 109.728 179.64 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.427 HD11 ' CD1' ' A' ' 71' ' ' LEU . 15.9 mt -84.23 -62.63 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.493 -0.754 . . . . 0.0 109.857 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.431 -0.793 . . . . 0.0 110.272 -179.964 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.104 0.478 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.91 136.26 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.379 -0.826 . . . . 0.0 110.295 -179.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -97.94 160.22 14.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.441 -0.787 . . . . 0.0 109.917 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.825 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.9 t80 -57.14 -27.12 61.57 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.85 . . . . 0.0 110.412 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.8 m -68.8 -61.22 1.9 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.265 -0.897 . . . . 0.0 110.113 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.65 -28.79 70.16 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -0.796 . . . . 0.0 110.07 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -67.44 -47.3 70.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 110.076 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.825 HD11 ' CE2' ' A' ' 65' ' ' PHE . 34.6 mt -60.95 -38.34 85.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.342 -0.848 . . . . 0.0 110.081 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.72 96.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.345 -0.847 . . . . 0.0 110.18 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.469 HD22 HD22 ' A' ' 51' ' ' LEU . 19.1 mt -63.76 -46.72 84.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 0.0 110.084 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.4 mtp -64.45 -38.82 92.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.386 -0.821 . . . . 0.0 110.023 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.351 -0.843 . . . . 0.0 110.201 179.9 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.219 0.533 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -55.46 -41.35 72.78 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.35 -0.844 . . . . 0.0 110.364 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.54 -34.3 77.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.015 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.606 HD22 ' HE2' ' A' ' 89' ' ' PHE . 10.1 mt -67.41 -48.93 65.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.389 -0.819 . . . . 0.0 109.919 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.09 -40.04 94.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.436 -0.79 . . . . 0.0 109.872 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -43.86 53.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.463 -0.773 . . . . 0.0 110.005 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.543 ' HB1' HG13 ' A' ' 108' ' ' VAL . . . -61.29 -46.4 90.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.472 -0.767 . . . . 0.0 110.295 179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.606 ' HE2' HD22 ' A' ' 85' ' ' LEU . 9.8 m-85 -63.02 -38.8 92.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.381 -0.825 . . . . 0.0 110.183 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -38.8 83.8 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.295 -0.878 . . . . 0.0 110.307 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.7 t -72.13 -37.93 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.293 -0.879 . . . . 0.0 110.02 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.2 m-85 -73.99 -30.78 62.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.165 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 95' ' ' ASN . 6.6 t70 -68.15 -23.27 64.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.342 -0.849 . . . . 0.0 110.231 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.54 -72.62 0.06 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.54 -0.725 . . . . 0.0 110.436 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -57.74 -53.91 52.8 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.234 -0.916 . . . . 0.0 110.308 -179.912 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.57 33.71 2.41 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.2 -39.66 9.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.401 -1.058 . . . . 0.0 110.187 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.17 33.12 2.41 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 99' ' ' LEU . 82.3 mt -140.48 122.13 15.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.354 -1.086 . . . . 0.0 110.217 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 pt -143.29 160.7 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.443 -0.785 . . . . 0.0 110.172 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 m -79.2 160.12 27.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.377 -0.827 . . . . 0.0 110.288 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.23 -30.21 49.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.396 -0.815 . . . . 0.0 110.506 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.73 -57.46 11.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.267 -0.896 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.801 ' O ' HG23 ' A' ' 108' ' ' VAL . 44.8 mt-10 -61.39 -32.37 72.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.416 -0.803 . . . . 0.0 109.944 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -41.43 79.61 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.482 -0.761 . . . . 0.0 110.042 179.882 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -41.17 97.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.329 -0.857 . . . . 0.0 110.082 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -64.73 -33.87 76.99 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.404 -0.81 . . . . 0.0 110.072 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.4 t -70.61 -43.99 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 0.0 110.056 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.51 -30.65 71.43 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.407 -0.808 . . . . 0.0 110.19 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.3 m -78.84 -32.18 46.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.435 -0.791 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.38 -37.77 71.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.306 -0.871 . . . . 0.0 110.184 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.83 -26.68 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.415 -0.803 . . . . 0.0 110.03 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.48 28.97 50.86 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.78 157.79 23.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.386 -1.067 . . . . 0.0 110.177 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.69 58.75 5.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.232 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.664 HD11 HD22 ' A' ' 144' ' ' LEU . 66.4 mt -133.45 139.38 46.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.375 -0.828 . . . . 0.0 110.178 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.5 p -101.85 -178.24 3.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.355 -0.84 . . . . 0.0 110.223 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.31 -31.77 72.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.353 -0.842 . . . . 0.0 110.157 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.24 82.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.353 -0.842 . . . . 0.0 110.198 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.63 -47.69 82.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.315 -0.866 . . . . 0.0 110.087 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.57 -29.14 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.36 -0.838 . . . . 0.0 109.991 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.5 -47.77 71.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.376 -0.828 . . . . 0.0 109.995 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.27 -28.76 69.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.403 -0.81 . . . . 0.0 110.013 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.495 ' O ' HG23 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -79.47 -36.71 38.32 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.324 -0.86 . . . . 0.0 110.097 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 125' ' ' LEU . 8.4 mt -62.65 -39.5 94.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.368 -0.833 . . . . 0.0 110.227 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -61.8 -38.6 88.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.279 -0.888 . . . . 0.0 110.305 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -80.19 -36.68 34.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.334 -0.853 . . . . 0.0 110.522 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.726 HG12 HG23 ' A' ' 135' ' ' ILE . 59.7 t -80.88 -25.98 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.358 -0.839 . . . . 0.0 110.406 -179.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.1 t -59.72 100.38 0.08 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.284 -0.885 . . . . 0.0 110.271 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -113.57 -28.94 7.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.84 -98.39 2.37 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.6 m -158.35 -59.7 0.08 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.447 -1.031 . . . . 0.0 110.177 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -126.04 29.91 4.49 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -145.4 138.09 26.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -1.043 . . . . 0.0 110.172 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.726 HG23 HG12 ' A' ' 128' ' ' VAL . 87.4 mt -134.71 145.89 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.386 -0.821 . . . . 0.0 110.107 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -80.72 129.96 34.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -0.792 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.543 HG21 ' HB3' ' A' ' 89' ' ' PHE . 11.7 pt -66.66 -20.53 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.326 -0.859 . . . . 0.0 110.492 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -70.7 -36.22 73.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.223 -0.923 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.424 ' O ' HD12 ' A' ' 143' ' ' LEU . 10.8 mm-40 -68.33 -49.73 58.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.332 -0.855 . . . . 0.0 110.224 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.402 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.4 OUTLIER -65.22 -36.2 83.42 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.352 -0.842 . . . . 0.0 110.117 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.46 71.42 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.357 -0.84 . . . . 0.0 110.242 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.0 -34.7 38.26 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.829 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 139' ' ' GLN . 2.5 mt -64.61 -42.39 95.57 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.381 -0.824 . . . . 0.0 110.278 -179.88 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.664 HD22 HD11 ' A' ' 116' ' ' LEU . 89.0 mt -70.2 -48.77 55.66 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.285 -0.884 . . . . 0.0 110.145 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.44 -0.787 . . . . 0.0 110.126 179.999 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.133 0.492 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.98 -29.1 70.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.415 -0.803 . . . . 0.0 110.12 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -70.01 -46.54 64.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.396 -0.815 . . . . 0.0 110.057 179.829 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -66.78 -42.41 86.09 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.379 -0.825 . . . . 0.0 110.01 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.7 mt -67.96 -34.65 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.319 -0.863 . . . . 0.0 109.841 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.04 -31.7 72.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.375 -0.828 . . . . 0.0 109.84 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.01 -48.91 56.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 109.989 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -62.5 -36.84 83.8 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.373 -0.829 . . . . 0.0 110.016 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -62.99 -40.28 97.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.444 -0.785 . . . . 0.0 110.195 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.39 -52.71 62.52 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.335 -0.853 . . . . 0.0 110.18 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.98 86.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.353 -0.842 . . . . 0.0 110.204 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.5 t80 -67.25 -46.45 73.66 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.299 -0.876 . . . . 0.0 110.098 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -27.84 69.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.374 -0.828 . . . . 0.0 110.145 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.76 -34.04 76.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.29 -0.881 . . . . 0.0 110.144 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -108.77 27.85 9.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.391 -0.818 . . . . 0.0 110.21 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.434 -0.791 . . . . 0.0 110.03 179.95 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 p -148.0 139.92 24.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.38 -1.071 . . . . 0.0 110.158 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.601 HG23 ' CE1' ' A' ' 16' ' ' PHE . 46.5 pt -122.33 159.28 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.395 -0.815 . . . . 0.0 110.234 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -84.25 160.08 20.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 0.0 110.263 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -38.77 88.09 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.405 -0.81 . . . . 0.0 110.265 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -57.19 -28.84 63.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.342 -0.849 . . . . 0.0 110.337 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.1 mt-10 -91.47 -17.12 26.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.503 HD22 HD13 ' A' ' 55' ' ' ILE . 48.7 tp -56.45 -48.56 76.8 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.284 -0.885 . . . . 0.0 110.422 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.31 -38.63 84.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.896 . . . . 0.0 110.155 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.7 m -68.26 -37.17 80.45 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.019 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 31' ' ' GLU . 81.1 t -61.49 -37.96 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.407 -0.808 . . . . 0.0 109.977 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.8 mtt -69.9 -38.34 76.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.368 -0.832 . . . . 0.0 110.012 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -64.47 -35.19 80.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.373 -0.83 . . . . 0.0 110.181 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -78.95 -34.19 44.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.375 -0.828 . . . . 0.0 110.204 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.35 -22.16 66.86 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.393 -0.817 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.42 30.66 1.83 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.9 mt -121.68 179.53 4.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.287 -1.125 . . . . 0.0 110.176 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.73 68.81 0.87 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.359 -0.838 . . . . 0.0 110.214 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.6 137.84 25.77 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.655 1.345 . . . . 0.0 110.344 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 169.44 2.3 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.399 -0.813 . . . . 0.0 110.114 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.78 -27.91 65.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.334 -0.854 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.81 -41.75 71.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 110.122 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.26 -36.05 81.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.413 -0.804 . . . . 0.0 110.144 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.34 -41.41 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.324 -0.86 . . . . 0.0 110.013 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -40.45 93.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.345 -0.847 . . . . 0.0 110.057 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.07 -50.42 72.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.367 -0.833 . . . . 0.0 110.018 179.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 55' ' ' ILE . 7.8 mp -62.82 -42.78 99.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.322 -0.861 . . . . 0.0 109.931 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 mtt -68.21 -29.17 67.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.859 . . . . 0.0 109.832 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -66.05 -38.93 89.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.439 -0.788 . . . . 0.0 109.891 179.723 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -72.57 -34.6 67.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.399 -0.813 . . . . 0.0 109.958 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 51' ' ' LEU . 10.0 mt -83.9 -61.39 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.443 -0.786 . . . . 0.0 109.995 179.803 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 110.04 179.973 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.106 0.479 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CD1' HD22 ' A' ' 32' ' ' LEU . 73.0 mt -87.7 127.7 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 110.242 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.73 160.07 16.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.461 -0.774 . . . . 0.0 110.041 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.728 ' CE2' HD11 ' A' ' 69' ' ' LEU . 22.2 t80 -56.66 -36.5 69.63 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.257 -0.902 . . . . 0.0 110.361 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.0 m -62.97 -54.67 34.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.393 -0.817 . . . . 0.0 110.119 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.62 -28.53 69.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.416 -0.802 . . . . 0.0 110.237 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -69.87 -47.95 60.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.481 -0.762 . . . . 0.0 110.24 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.728 HD11 ' CE2' ' A' ' 65' ' ' PHE . 50.5 mt -60.45 -35.74 76.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.356 -0.84 . . . . 0.0 110.11 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.2 -48.11 62.98 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.426 -0.796 . . . . 0.0 110.196 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.04 -42.76 99.09 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.381 -0.824 . . . . 0.0 110.201 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.5 mmm -63.44 -38.51 91.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.392 -0.817 . . . . 0.0 110.167 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.347 -0.846 . . . . 0.0 110.203 179.954 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.152 0.501 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -72.74 -20.77 61.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.33 -0.856 . . . . 0.0 110.324 179.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -49.6 12.69 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.204 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.75 -39.8 74.65 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.937 -178.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.69 -43.84 83.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.577 -0.702 . . . . 0.0 109.707 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.668 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.1 mt-10 -58.42 -41.25 84.57 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.441 -0.787 . . . . 0.0 110.149 179.759 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.0 64.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.29 -0.881 . . . . 0.0 109.993 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.665 ' HB3' HD13 ' A' ' 137' ' ' ILE . 4.7 m-85 -60.73 -27.35 67.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.139 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -38.05 59.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.013 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 87' ' ' GLU . 68.0 t -62.39 -46.06 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.302 -0.874 . . . . 0.0 110.062 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD1' HG22 ' A' ' 108' ' ' VAL . 13.4 m-85 -63.08 -34.1 76.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 95' ' ' ASN . 27.2 t0 -81.93 -10.03 59.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.354 -0.841 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.72 -76.01 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.33 -0.856 . . . . 0.0 110.452 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' ASP . 19.0 m120 -154.77 31.2 0.41 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.102 -0.999 . . . . 0.0 110.255 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -91.31 42.88 2.81 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.854 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.92 -75.09 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.462 -1.023 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' GLY . . . -173.22 52.88 0.16 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.422 ' C ' HG23 ' A' ' 100' ' ' ILE . 8.1 mt -137.07 136.24 38.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.435 -1.038 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.422 HG23 ' C ' ' A' ' 99' ' ' LEU . 42.9 pt -147.47 160.4 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.392 -0.818 . . . . 0.0 110.215 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.54 160.2 26.58 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.335 -0.853 . . . . 0.0 110.229 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.57 41.1 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.329 -0.857 . . . . 0.0 110.556 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.37 -55.0 36.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.306 -0.871 . . . . 0.0 110.118 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.773 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.5 mm-40 -63.58 -29.15 70.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.285 -0.884 . . . . 0.0 109.967 179.762 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.692 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.3 tp -70.37 -39.02 74.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.367 -0.833 . . . . 0.0 110.098 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -69.72 -36.72 76.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.326 -0.859 . . . . 0.0 110.218 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -68.51 -35.47 77.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.217 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 104' ' ' GLU . 90.1 t -69.66 -43.66 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.448 -0.782 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.48 -34.62 77.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.882 . . . . 0.0 110.054 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.7 m -79.99 -31.3 39.79 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.339 -0.851 . . . . 0.0 110.102 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.0 t -71.99 -42.55 66.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.344 -0.847 . . . . 0.0 110.158 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.431 HD11 HG12 ' A' ' 108' ' ' VAL . 73.3 mt -62.46 -27.77 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.333 -0.855 . . . . 0.0 109.994 179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.95 28.89 27.4 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.0 148.33 46.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.265 -1.138 . . . . 0.0 110.095 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.62 61.94 6.56 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.357 -0.839 . . . . 0.0 110.325 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.4 HD11 HD22 ' A' ' 144' ' ' LEU . 26.7 mt -115.08 120.47 39.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.313 -0.867 . . . . 0.0 110.107 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.6 p -79.28 -175.97 4.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.338 -0.851 . . . . 0.0 110.251 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -31.95 68.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.93 99.41 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.422 -0.799 . . . . 0.0 110.129 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.2 -51.54 67.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.424 -0.798 . . . . 0.0 110.18 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.411 HG12 HD12 ' A' ' 125' ' ' LEU . 57.5 t -62.32 -27.97 43.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.338 -0.851 . . . . 0.0 110.07 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.62 -45.53 61.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.35 -0.844 . . . . 0.0 110.115 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -71.33 -34.57 70.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.357 -0.839 . . . . 0.0 110.161 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.464 ' O ' HG23 ' A' ' 128' ' ' VAL . 17.5 mtp -74.85 -26.27 59.57 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.374 -0.829 . . . . 0.0 110.194 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.411 HD12 HG12 ' A' ' 121' ' ' VAL . 9.7 mt -76.28 -39.11 55.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.276 -0.89 . . . . 0.0 110.194 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -33.38 74.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.367 -0.833 . . . . 0.0 110.146 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -80.06 -27.27 39.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.855 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.722 HG12 HG23 ' A' ' 135' ' ' ILE . 51.7 t -98.74 -60.9 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.307 -0.871 . . . . 0.0 110.158 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -61.56 116.79 5.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.429 -0.794 . . . . 0.0 110.202 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -145.69 28.37 1.17 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.358 -0.839 . . . . 0.0 110.229 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -148.1 -107.78 0.48 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.0 t -171.85 -35.81 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.342 -1.093 . . . . 0.0 110.328 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -55.37 -96.08 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.15 160.16 41.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -1.135 . . . . 0.0 110.437 -179.791 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.722 HG23 HG12 ' A' ' 128' ' ' VAL . 67.4 mt -94.79 145.29 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.369 -0.832 . . . . 0.0 110.107 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -80.7 132.82 35.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.665 HD13 ' HB3' ' A' ' 89' ' ' PHE . 4.5 pt -69.45 -17.93 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.425 -0.797 . . . . 0.0 110.507 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 -53.33 59.49 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.27 -0.894 . . . . 0.0 110.228 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -62.55 -48.86 77.64 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.422 -0.799 . . . . 0.0 110.172 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.692 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.44 -50.95 69.44 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.299 -0.876 . . . . 0.0 110.004 179.858 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.86 -28.74 69.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.388 -0.82 . . . . 0.0 110.157 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.65 62.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.403 -0.81 . . . . 0.0 110.062 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.4 mt -69.0 -33.58 73.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -0.831 . . . . 0.0 110.07 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.4 HD22 HD11 ' A' ' 116' ' ' LEU . 88.6 mt -74.07 -52.81 11.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.341 -0.849 . . . . 0.0 110.125 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 110.148 179.958 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.134 0.492 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -62.1 -36.46 81.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.318 -0.864 . . . . 0.0 110.192 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -69.2 -38.32 78.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.358 -0.839 . . . . 0.0 110.054 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 3.8 mm-40 -67.97 -43.76 78.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.335 -0.853 . . . . 0.0 110.012 179.817 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.24 -39.88 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.41 -0.806 . . . . 0.0 109.925 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.74 -36.24 80.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.305 -0.872 . . . . 0.0 109.901 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.09 -53.49 57.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.348 -0.845 . . . . 0.0 109.775 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.2 m-85 -60.27 -30.55 69.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.395 -0.816 . . . . 0.0 109.502 179.408 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -61.29 -43.36 99.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.582 -0.699 . . . . 0.0 109.974 179.618 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.17 -43.68 86.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.421 -0.799 . . . . 0.0 110.328 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.67 -28.15 60.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.292 -0.88 . . . . 0.0 110.419 -179.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -80.12 -36.24 35.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.194 -0.941 . . . . 0.0 110.228 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.77 -25.46 53.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.434 -0.792 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.21 -26.66 63.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.361 -0.837 . . . . 0.0 110.325 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -108.5 26.31 10.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.283 -0.885 . . . . 0.0 110.355 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 0.0 110.176 -179.948 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.0 p -138.55 130.2 27.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.326 -1.102 . . . . 0.0 110.143 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -111.95 158.57 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.401 -0.812 . . . . 0.0 110.249 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -89.15 160.24 17.1 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 110.325 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -37.25 76.79 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.473 -0.767 . . . . 0.0 110.429 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.82 -25.61 56.3 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.315 -0.866 . . . . 0.0 110.387 -179.778 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.764 ' O ' HG23 ' A' ' 35' ' ' VAL . 37.7 mt-10 -98.72 -16.17 19.08 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.424 -0.797 . . . . 0.0 110.381 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD22 ' CD1' ' A' ' 63' ' ' ILE . 58.4 tp -57.16 -52.67 64.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.221 -0.924 . . . . 0.0 110.396 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.34 81.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.343 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.2 m -66.54 -39.03 88.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 31' ' ' GLU . 97.6 t -61.51 -39.85 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.32 -0.863 . . . . 0.0 109.871 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.8 mtt -67.43 -33.66 75.62 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.315 -0.866 . . . . 0.0 109.667 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -69.09 -29.67 67.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.47 -0.769 . . . . 0.0 109.977 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -77.88 -35.35 50.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.818 . . . . 0.0 110.208 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.26 -29.27 68.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.355 -0.841 . . . . 0.0 110.114 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.83 -5.65 4.05 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -80.98 172.56 13.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -1.185 . . . . 0.0 110.229 -179.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.8 t -167.3 61.53 0.58 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.438 -0.789 . . . . 0.0 110.054 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HB2' ' CB ' ' A' ' 47' ' ' GLU . 45.9 Cg_endo -73.63 137.49 25.14 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.723 1.38 . . . . 0.0 110.416 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 m -64.28 174.29 1.69 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.364 -0.835 . . . . 0.0 109.999 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.23 -30.75 66.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.279 -0.888 . . . . 0.0 110.164 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.69 81.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.478 -0.764 . . . . 0.0 109.942 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 43' ' ' PRO . 26.9 mt-10 -65.18 -41.91 94.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.397 -0.815 . . . . 0.0 109.686 179.698 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.55 -43.85 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.399 -0.813 . . . . 0.0 109.645 179.559 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -54.88 -45.57 74.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.874 . . . . 0.0 110.034 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.68 -48.51 77.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.333 -0.854 . . . . 0.0 109.662 179.484 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -63.02 -53.1 59.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.421 -0.799 . . . . 0.0 109.885 179.542 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -61.95 -26.99 68.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.353 -0.842 . . . . 0.0 110.15 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -67.64 -37.72 82.86 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.357 -0.839 . . . . 0.0 109.966 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -78.76 -30.01 45.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.356 -0.84 . . . . 0.0 109.983 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.1 mt -90.34 -64.17 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 0.0 110.012 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.343 -0.848 . . . . 0.0 110.392 -179.8 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.171 0.51 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.511 ' CD1' HD22 ' A' ' 32' ' ' LEU . 80.0 mt -90.82 141.51 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.417 -0.802 . . . . 0.0 110.148 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -100.2 160.05 14.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.431 -0.793 . . . . 0.0 110.09 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.8 ' CE2' HD11 ' A' ' 69' ' ' LEU . 23.9 t80 -58.33 -34.86 71.09 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.349 -0.844 . . . . 0.0 110.438 -179.83 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -62.38 -57.45 11.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.378 -0.826 . . . . 0.0 110.173 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.63 -31.34 72.17 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.423 -0.798 . . . . 0.0 110.08 179.842 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -65.66 -48.69 71.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.422 -0.799 . . . . 0.0 110.138 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.8 HD11 ' CE2' ' A' ' 65' ' ' PHE . 45.1 mt -59.44 -38.96 82.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.327 -0.858 . . . . 0.0 110.169 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.1 -46.9 82.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.35 -0.844 . . . . 0.0 109.988 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.34 -42.62 98.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.374 -0.829 . . . . 0.0 109.985 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.7 mmm -65.22 -38.61 90.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.456 -0.778 . . . . 0.0 110.073 179.818 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.434 -0.792 . . . . 0.0 110.182 179.991 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.236 0.541 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.39 -27.06 63.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.34 -0.85 . . . . 0.0 110.34 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -67.56 -43.29 81.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.362 -0.836 . . . . 0.0 110.036 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -47.05 78.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.351 -0.843 . . . . 0.0 110.062 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.65 -35.16 80.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 110.052 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -71.38 -43.81 66.17 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.429 -0.795 . . . . 0.0 110.107 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.05 98.59 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.272 -0.892 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.507 ' HB3' HG21 ' A' ' 137' ' ' ILE . 13.5 m-85 -66.96 -31.98 72.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.123 179.848 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -66.52 -39.78 88.8 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.413 -0.804 . . . . 0.0 110.155 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.86 -34.13 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.876 . . . . 0.0 110.08 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.535 ' CE2' HG22 ' A' ' 108' ' ' VAL . 7.5 m-85 -71.97 -30.31 65.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.339 -0.851 . . . . 0.0 110.182 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -93.91 164.3 13.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.458 -0.776 . . . . 0.0 110.236 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 96' ' ' GLY . 29.3 mmtt -97.16 169.51 9.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 110.227 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 55.74 -86.4 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.601 -0.687 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 155.91 50.37 0.01 OUTLIER Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.0 -53.66 3.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.343 -1.092 . . . . 0.0 110.235 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.27 38.68 1.0 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.4 mt -126.95 124.87 40.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.317 -1.107 . . . . 0.0 110.189 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.2 pt -145.49 160.13 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.352 -0.842 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.3 m -79.81 160.22 26.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.446 -0.783 . . . . 0.0 110.183 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.72 -27.54 28.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.293 -0.879 . . . . 0.0 110.489 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.09 -55.03 21.12 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.339 -0.851 . . . . 0.0 110.092 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.757 ' O ' HG23 ' A' ' 108' ' ' VAL . 27.5 mt-10 -61.88 -33.12 73.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.36 -0.838 . . . . 0.0 110.082 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.823 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -67.39 -39.58 85.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.443 -0.786 . . . . 0.0 110.053 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -67.11 -39.89 86.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.458 -0.776 . . . . 0.0 110.195 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -67.75 -29.05 68.17 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.326 -0.859 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 104' ' ' GLU . 77.2 t -78.92 -42.87 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.32 -0.862 . . . . 0.0 110.136 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.439 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -63.09 -31.12 72.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.369 -0.832 . . . . 0.0 110.098 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.0 m -74.6 -43.08 57.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.319 -0.863 . . . . 0.0 110.205 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.1 t -61.95 -38.68 89.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.379 -0.826 . . . . 0.0 110.12 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 109' ' ' LEU . 62.9 mt -64.59 -26.56 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.305 -0.872 . . . . 0.0 110.094 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.57 33.44 55.98 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.98 179.75 0.26 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.417 -1.049 . . . . 0.0 110.082 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -110.02 62.41 0.6 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.417 -0.802 . . . . 0.0 110.222 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.406 ' CD1' ' CD2' ' A' ' 144' ' ' LEU . 76.6 mt -132.44 111.45 11.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.354 -0.841 . . . . 0.0 110.219 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.7 p -62.41 178.99 0.35 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.358 -0.839 . . . . 0.0 110.208 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.27 -37.88 88.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.315 -0.866 . . . . 0.0 110.187 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.75 -29.13 69.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 110.141 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.7 -50.0 34.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.32 -0.862 . . . . 0.0 110.124 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.5 t -62.21 -30.07 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.406 -0.809 . . . . 0.0 109.941 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.09 -45.41 73.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.321 -0.862 . . . . 0.0 110.049 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.35 -33.18 73.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.38 -0.825 . . . . 0.0 110.06 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.441 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 7.8 ttp -73.36 -28.85 62.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.441 -0.787 . . . . 0.0 110.066 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.05 -32.62 59.4 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.831 . . . . 0.0 110.07 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -68.07 -32.92 73.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.402 -0.811 . . . . 0.0 110.172 179.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -28.01 39.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.355 -0.84 . . . . 0.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.526 HG12 HG23 ' A' ' 135' ' ' ILE . 57.3 t -93.95 -25.79 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.7 t -61.67 88.18 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 110.337 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.54 -30.18 7.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.387 -0.821 . . . . 0.0 110.166 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.71 -95.84 0.54 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.8 m -159.79 -42.89 0.05 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.409 -1.053 . . . . 0.0 110.271 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.11 -45.19 0.04 OUTLIER Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -79.95 141.16 36.27 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.313 -1.11 . . . . 0.0 110.171 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.526 HG23 HG12 ' A' ' 128' ' ' VAL . 79.0 mt -130.08 159.88 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.361 -0.837 . . . . 0.0 110.145 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -88.16 128.15 35.44 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.442 -0.786 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.507 HG21 ' HB3' ' A' ' 89' ' ' PHE . 17.3 pt -67.97 -21.37 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.381 -0.825 . . . . 0.0 110.491 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -59.56 -53.68 55.26 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.291 -0.881 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -42.73 99.61 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.463 -0.773 . . . . 0.0 110.155 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.823 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -69.47 -33.7 73.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.39 -0.819 . . . . 0.0 110.077 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.86 -28.41 67.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.278 -0.889 . . . . 0.0 110.101 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.79 -35.33 38.71 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.389 -0.819 . . . . 0.0 110.125 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.36 -33.97 73.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.248 -0.908 . . . . 0.0 110.197 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.406 ' CD2' ' CD1' ' A' ' 116' ' ' LEU . 90.4 mt -79.65 -49.81 11.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.345 -0.847 . . . . 0.0 110.19 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 110.225 -179.996 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.133 0.492 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.03 -33.76 73.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.282 -0.886 . . . . 0.0 110.131 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.73 -49.26 69.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.334 -0.853 . . . . 0.0 110.0 179.887 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.9 mt-30 -64.4 -43.51 94.19 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.378 -0.826 . . . . 0.0 110.081 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.71 -30.95 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.835 . . . . 0.0 109.889 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.56 86.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.379 -0.825 . . . . 0.0 110.029 179.871 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.56 -48.12 80.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.369 -0.832 . . . . 0.0 110.1 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 25.9 m-85 -60.95 -36.86 80.47 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.269 -0.894 . . . . 0.0 110.029 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 4.5 ttmm -60.57 -40.83 93.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.461 -0.774 . . . . 0.0 110.174 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.89 -52.3 63.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.422 -0.799 . . . . 0.0 110.042 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.64 84.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.344 -0.847 . . . . 0.0 110.159 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.762 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.1 t80 -67.59 -46.2 73.29 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.364 -0.835 . . . . 0.0 110.116 179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -29.77 70.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.336 -0.853 . . . . 0.0 110.138 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.38 -37.13 84.56 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.441 -0.787 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -103.69 26.04 9.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.308 -0.87 . . . . 0.0 110.21 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.2 t70 . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.395 -0.816 . . . . 0.0 110.23 -179.998 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 p -138.18 134.69 34.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -1.093 . . . . 0.0 110.294 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.762 HG23 ' CE1' ' A' ' 16' ' ' PHE . 42.6 pt -120.15 159.88 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.424 -0.797 . . . . 0.0 110.177 179.891 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -82.64 155.79 24.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.331 -0.856 . . . . 0.0 110.171 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.02 -28.39 69.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.386 -0.821 . . . . 0.0 110.156 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.7 m -60.7 -34.42 74.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.326 -0.859 . . . . 0.0 110.157 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.75 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.0 mt-10 -91.45 -11.28 38.05 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.437 -0.79 . . . . 0.0 110.46 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' CD1' ' A' ' 63' ' ' ILE . 56.6 tp -57.1 -48.86 77.59 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.156 -0.965 . . . . 0.0 110.367 -179.86 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.68 88.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.311 -0.868 . . . . 0.0 110.118 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.8 m -66.51 -40.65 89.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.934 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 31' ' ' GLU . 97.1 t -57.53 -40.02 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.294 -0.879 . . . . 0.0 109.712 179.606 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.2 mtt -71.09 -29.51 65.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.43 -0.794 . . . . 0.0 109.509 179.383 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -37.61 87.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.468 -0.77 . . . . 0.0 109.766 179.646 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -33.06 39.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.406 -0.809 . . . . 0.0 110.175 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.6 -23.39 67.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.343 -0.848 . . . . 0.0 110.306 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.37 31.14 1.73 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -122.4 177.24 5.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.317 -1.107 . . . . 0.0 110.075 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.1 p -167.92 66.28 0.75 Allowed Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.36 137.84 26.36 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.761 1.4 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -61.72 175.71 0.61 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.363 -0.836 . . . . 0.0 110.186 179.962 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -33.65 74.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.422 -0.799 . . . . 0.0 110.168 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.6 95.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.316 -0.865 . . . . 0.0 110.091 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.33 -39.66 92.7 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.41 -0.806 . . . . 0.0 110.035 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 44' ' ' SER . 62.6 t -66.18 -40.78 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.497 -0.752 . . . . 0.0 109.975 179.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -36.78 84.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 110.027 179.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -63.45 -48.08 79.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.347 -0.846 . . . . 0.0 110.088 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.05 -39.37 94.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.374 -0.829 . . . . 0.0 110.08 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.6 mtt -68.05 -29.58 68.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.349 -0.844 . . . . 0.0 110.076 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -68.12 -43.4 78.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.38 -0.825 . . . . 0.0 110.048 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.28 -28.06 64.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.84 . . . . 0.0 110.058 179.875 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.587 HD13 HD11 ' A' ' 63' ' ' ILE . 2.6 mt -88.14 -53.28 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.366 -0.834 . . . . 0.0 110.039 179.908 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.176 -0.952 . . . . 0.0 110.663 -179.605 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.231 0.539 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.587 HD11 HD13 ' A' ' 55' ' ' ILE . 79.4 mt -79.96 125.72 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 0.0 110.394 -179.663 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 160.21 16.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.48 -0.762 . . . . 0.0 109.969 179.788 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 69' ' ' LEU . 21.1 t80 -56.27 -36.24 68.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.311 -0.868 . . . . 0.0 110.34 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -54.92 25.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.891 . . . . 0.0 110.066 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.87 -35.16 79.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.412 -0.805 . . . . 0.0 110.095 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.13 -48.2 81.19 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.396 -0.815 . . . . 0.0 110.093 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 65' ' ' PHE . 48.1 mt -58.89 -39.92 82.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.305 -0.872 . . . . 0.0 110.151 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.96 -48.88 69.84 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.267 -0.896 . . . . 0.0 110.052 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.2 -37.21 86.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.319 -0.863 . . . . 0.0 109.918 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.8 mmm -64.93 -42.96 94.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.422 -0.799 . . . . 0.0 110.047 179.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.494 1.73 0 O-C-N 121.302 -0.874 . . . . 0.0 110.267 179.94 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.173 0.511 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.11 -35.68 73.85 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.358 -0.839 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.56 -37.45 86.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.389 -0.82 . . . . 0.0 110.13 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.57 HD22 ' HE2' ' A' ' 89' ' ' PHE . 3.2 mt -65.99 -46.65 77.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.347 -0.846 . . . . 0.0 110.149 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.37 -30.6 70.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.363 -0.836 . . . . 0.0 110.149 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -71.42 -49.81 38.12 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.463 -0.773 . . . . 0.0 109.912 179.901 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.86 97.26 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.363 -0.836 . . . . 0.0 110.106 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HE2' HD22 ' A' ' 85' ' ' LEU . 7.1 m-85 -61.26 -43.1 99.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.314 -0.866 . . . . 0.0 110.091 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -61.47 -37.45 83.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.374 -0.829 . . . . 0.0 110.124 179.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 87' ' ' GLU . 65.7 t -63.86 -37.37 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.367 -0.833 . . . . 0.0 110.051 179.819 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -73.72 -32.4 63.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.464 -0.773 . . . . 0.0 110.223 179.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -90.6 100.44 13.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.417 -0.802 . . . . 0.0 110.261 -179.939 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -60.53 -59.18 5.8 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 110.042 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -146.51 42.59 1.17 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.344 -0.848 . . . . 0.0 110.197 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.55 31.11 7.82 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 p30 36.86 34.84 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.731 -0.864 . . . . 0.0 111.377 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.59 40.63 5.94 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.487 HD21 ' ND2' ' A' ' 136' ' ' ASN . 96.0 mt -137.07 114.12 10.64 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.293 -1.122 . . . . 0.0 110.268 179.892 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.53 HD11 HD12 ' A' ' 105' ' ' LEU . 42.8 pt -124.7 160.28 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.417 -0.802 . . . . 0.0 110.153 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.7 t -79.63 160.05 26.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 0.0 110.199 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.8 -32.69 65.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.35 -0.844 . . . . 0.0 110.383 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.2 -54.28 40.06 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.31 -0.869 . . . . 0.0 110.107 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.788 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 mm-40 -61.6 -36.71 81.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.369 -0.832 . . . . 0.0 110.094 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.807 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -65.02 -39.43 93.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.097 179.85 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -66.07 -42.86 88.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 110.131 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -63.95 -29.29 70.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.203 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 104' ' ' GLU . 70.0 t -74.22 -45.65 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.424 -0.798 . . . . 0.0 110.014 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -31.44 70.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.271 -0.893 . . . . 0.0 110.215 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.4 m -80.08 -33.82 38.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.362 -0.837 . . . . 0.0 110.144 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.1 t -71.22 -40.06 71.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.349 -0.845 . . . . 0.0 110.207 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.15 -26.28 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.443 -0.785 . . . . 0.0 110.082 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.88 28.6 41.44 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.95 -179.11 0.67 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.404 -1.056 . . . . 0.0 110.081 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -107.04 40.98 1.55 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.364 -0.835 . . . . 0.0 110.197 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 116' ' ' LEU . 77.3 mt -119.04 104.79 10.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.374 -0.829 . . . . 0.0 110.162 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.4 p -67.21 179.15 1.26 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.39 -0.819 . . . . 0.0 110.184 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.01 -36.55 83.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.4 -0.812 . . . . 0.0 110.214 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.51 96.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.399 -0.813 . . . . 0.0 110.136 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.48 -50.54 72.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.322 -0.862 . . . . 0.0 110.143 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.492 HG12 ' CD1' ' A' ' 125' ' ' LEU . 99.0 t -61.54 -29.45 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.335 -0.853 . . . . 0.0 110.011 179.81 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -43.08 95.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.361 -0.837 . . . . 0.0 109.918 179.765 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.67 -34.17 76.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.377 -0.827 . . . . 0.0 109.974 179.817 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.699 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.2 ttm -79.64 -31.33 41.52 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 110.043 179.813 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.492 ' CD1' HG12 ' A' ' 121' ' ' VAL . 6.0 mt -64.27 -42.6 96.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.475 -0.766 . . . . 0.0 110.206 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -62.97 -37.61 87.78 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.409 -0.807 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -80.11 -28.21 39.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.837 . . . . 0.0 110.223 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 124' ' ' MET . 71.6 t -92.22 -64.84 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.374 -0.829 . . . . 0.0 110.098 -179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.8 t -65.07 -43.16 93.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.36 -0.838 . . . . 0.0 110.229 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.6 t0 52.85 36.78 22.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.341 -0.849 . . . . 0.0 110.411 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.2 96.72 0.03 OUTLIER Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -166.46 -56.3 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.432 -1.04 . . . . 0.0 110.241 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 130.43 -72.88 0.47 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -81.45 135.39 35.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.294 -1.121 . . . . 0.0 110.072 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.459 HG23 HG12 ' A' ' 128' ' ' VAL . 55.5 mt -123.51 145.4 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.345 -0.847 . . . . 0.0 110.244 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.487 ' ND2' HD21 ' A' ' 99' ' ' LEU . 4.0 m120 -85.93 121.51 28.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.409 -0.807 . . . . 0.0 110.194 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 22.1 pt -61.24 -21.19 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.386 -0.821 . . . . 0.0 110.488 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -59.48 -48.22 82.5 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.228 -0.92 . . . . 0.0 110.271 -179.902 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.6 -44.18 78.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.388 -0.82 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.807 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.85 -48.19 81.65 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.356 -0.84 . . . . 0.0 110.08 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.02 -28.67 69.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.317 -0.864 . . . . 0.0 110.214 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.17 -36.16 58.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 110.127 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.699 HD13 ' CG ' ' A' ' 124' ' ' MET . 7.5 mt -68.72 -29.97 68.51 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.319 -0.863 . . . . 0.0 110.103 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 88.4 mt -79.76 -29.55 40.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.406 -0.809 . . . . 0.0 110.165 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.365 -0.834 . . . . 0.0 110.188 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.166 0.508 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.87 106.38 3.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.403 -0.811 . . . . 0.0 110.201 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -134.61 -178.24 4.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.446 -0.784 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.433 HD22 ' HE2' ' A' ' 12' ' ' PHE . 9.9 mt -60.09 164.85 3.73 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.348 -0.845 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -109.27 170.07 8.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.431 -0.793 . . . . 0.0 110.093 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -58.06 -41.55 83.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.32 -0.862 . . . . 0.0 110.282 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.92 -46.05 89.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.865 . . . . 0.0 109.988 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.424 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.1 mm100 -67.6 -45.18 76.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.5 -0.75 . . . . 0.0 109.971 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.99 -28.63 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.44 -0.788 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.36 -40.77 77.29 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.851 . . . . 0.0 110.124 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -65.23 -46.82 79.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.332 -0.855 . . . . 0.0 110.187 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CZ ' HD13 ' A' ' 76' ' ' LEU . 19.5 m-85 -62.4 -36.73 83.24 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.363 -0.835 . . . . 0.0 110.054 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -62.05 -40.3 95.29 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.439 -0.788 . . . . 0.0 110.178 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.05 -46.89 79.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.463 -0.773 . . . . 0.0 110.269 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -71.03 -34.92 71.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.358 -0.839 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -70.12 -44.32 69.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.134 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.96 -27.32 66.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 110.196 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 18' ' ' LEU . 11.7 mt -61.09 -46.48 90.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.365 -0.834 . . . . 0.0 110.298 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CD1' HG22 ' A' ' 35' ' ' VAL . 50.0 m-85 -83.68 -27.72 28.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.4 -0.813 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.87 101.89 0.89 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.277 -0.889 . . . . 0.0 109.925 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -118.71 52.68 1.03 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.323 -0.861 . . . . 0.0 110.323 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -128.8 -98.55 0.36 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.294 -0.879 . . . . 0.0 110.151 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -174.43 34.08 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.968 -1.083 . . . . 0.0 110.235 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.06 -75.02 0.16 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.161 -0.962 . . . . 0.0 110.183 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.3 56.65 0.01 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.4 m -141.94 141.92 32.98 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.394 -1.062 . . . . 0.0 110.195 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.2 pt -126.84 154.92 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 110.231 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -79.99 160.1 26.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.402 -0.811 . . . . 0.0 110.216 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -63.05 -28.87 70.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.348 -0.845 . . . . 0.0 110.176 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.3 m -60.74 -28.58 68.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.0 110.222 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.786 ' O ' HG23 ' A' ' 35' ' ' VAL . 35.7 mt-10 -96.59 -15.12 21.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.381 -0.824 . . . . 0.0 110.421 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.64 HD22 ' CD1' ' A' ' 63' ' ' ILE . 61.4 tp -57.4 -51.52 69.07 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.284 -0.885 . . . . 0.0 110.226 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.1 -39.73 79.35 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.325 -0.859 . . . . 0.0 110.243 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 m -68.78 -40.34 79.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.376 -0.827 . . . . 0.0 110.087 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 31' ' ' GLU . 84.4 t -61.59 -32.9 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 109.887 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.9 mtt -73.18 -36.58 66.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.37 -0.831 . . . . 0.0 109.875 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -66.7 -32.83 74.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.467 -0.771 . . . . 0.0 110.198 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.86 -28.9 39.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.336 -0.853 . . . . 0.0 110.16 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.35 -25.66 61.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.356 -0.84 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.87 36.15 0.64 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 mt -123.55 177.84 5.47 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.28 -1.129 . . . . 0.0 110.109 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.4 p -168.66 64.03 0.58 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.387 -0.821 . . . . 0.0 110.184 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.25 137.42 25.95 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 O-C-N 123.696 1.367 . . . . 0.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.54 168.04 5.05 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.421 -0.799 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.23 -25.96 59.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.255 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -40.1 68.32 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.427 -0.796 . . . . 0.0 109.995 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -69.55 -37.57 77.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.377 -0.827 . . . . 0.0 109.966 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.0 -38.16 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.351 -0.843 . . . . 0.0 109.877 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.96 -43.57 87.51 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.384 -0.823 . . . . 0.0 109.957 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -62.8 -44.59 95.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.351 -0.843 . . . . 0.0 109.982 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.55 -43.99 83.6 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 110.052 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.8 mtt -65.68 -29.02 69.51 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.31 -0.869 . . . . 0.0 109.964 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -66.99 -45.07 78.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.415 -0.803 . . . . 0.0 109.897 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.08 -36.89 85.51 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.388 -0.82 . . . . 0.0 109.879 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 57' ' ' VAL . 15.0 mt -77.71 -57.59 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.445 -0.784 . . . . 0.0 109.799 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.61 103.25 0.83 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.41 -0.806 . . . . 0.0 110.185 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 55' ' ' ILE . 83.5 t -93.67 -43.4 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.452 -0.78 . . . . 0.0 110.173 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -120.08 31.13 6.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.356 -0.84 . . . . 0.0 110.316 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.47 -36.36 4.05 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -128.11 146.17 50.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.389 -1.065 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.415 ' CD2' HG23 ' A' ' 55' ' ' ILE . 5.1 t60 -167.88 127.27 1.29 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.384 -0.822 . . . . 0.0 110.153 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -91.08 121.82 33.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.383 -0.823 . . . . 0.0 109.997 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.64 ' CD1' HD22 ' A' ' 32' ' ' LEU . 76.5 mt -79.94 124.4 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.315 -0.866 . . . . 0.0 110.31 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.74 160.17 15.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.433 -0.792 . . . . 0.0 109.949 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.669 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.5 t80 -55.07 -25.55 31.8 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.288 -0.883 . . . . 0.0 110.422 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.2 p -73.75 -52.89 11.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.283 -0.886 . . . . 0.0 110.023 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -66.42 -31.47 72.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.43 -0.794 . . . . 0.0 110.035 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -68.12 -47.18 68.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.359 -0.838 . . . . 0.0 110.083 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.669 HD11 ' CE2' ' A' ' 65' ' ' PHE . 56.7 mt -60.53 -37.19 80.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.272 -0.892 . . . . 0.0 110.053 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.41 75.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.406 -0.809 . . . . 0.0 110.074 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.08 -36.34 83.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.349 -0.844 . . . . 0.0 109.987 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.79 ' HE3' HD11 ' A' ' 76' ' ' LEU . 94.0 mmm -69.69 -37.68 76.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.319 -0.863 . . . . 0.0 109.901 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.2 p -61.96 -38.6 89.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.397 -0.815 . . . . 0.0 110.076 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -67.1 -39.71 86.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.356 -0.84 . . . . 0.0 110.0 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -80.3 -33.02 37.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.388 -0.82 . . . . 0.0 110.203 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.79 HD11 ' HE3' ' A' ' 72' ' ' MET . 6.5 mt -95.53 47.89 1.13 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.322 -0.861 . . . . 0.0 110.184 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.78 148.37 36.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.425 -0.797 . . . . 0.0 110.137 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 p -167.21 50.58 0.07 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.355 -0.841 . . . . 0.0 110.262 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -154.02 125.88 7.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 0.0 110.22 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.85 97.66 0.46 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.4 -0.812 . . . . 0.0 110.19 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.9 m -72.76 -44.96 60.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.334 -0.854 . . . . 0.0 110.148 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.74 -55.32 31.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.354 -0.841 . . . . 0.0 110.25 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -34.9 68.87 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.384 -0.822 . . . . 0.0 110.235 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -62.28 -39.92 94.53 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.351 -0.843 . . . . 0.0 110.121 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.412 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -66.99 -44.44 80.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.364 -0.835 . . . . 0.0 110.052 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.54 -33.08 74.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.443 -0.785 . . . . 0.0 110.159 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.37 -46.01 74.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.424 -0.797 . . . . 0.0 110.121 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.68 -47.89 83.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.447 -0.783 . . . . 0.0 110.179 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.743 ' HB3' HD13 ' A' ' 137' ' ' ILE . 15.9 m-85 -61.55 -28.93 69.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.433 -0.792 . . . . 0.0 110.165 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -42.06 75.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.355 -0.841 . . . . 0.0 110.047 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.39 -43.99 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.393 -0.817 . . . . 0.0 109.956 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -66.06 -28.81 69.12 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.384 -0.822 . . . . 0.0 110.146 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -86.04 97.75 10.46 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.324 -0.86 . . . . 0.0 110.153 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -70.21 -26.69 63.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.457 -0.777 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -59.73 -64.96 0.76 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.813 . . . . 0.0 110.226 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.1 -29.67 2.61 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.9 -52.21 15.6 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.356 -1.085 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.0 47.02 0.1 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.417 ' C ' HG23 ' A' ' 100' ' ' ILE . 51.7 mt -116.21 131.75 56.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.373 -1.075 . . . . 0.0 110.129 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.417 HG23 ' C ' ' A' ' 99' ' ' LEU . 42.0 pt -146.2 160.26 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 0.0 110.226 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.7 m -79.8 160.18 26.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.363 -0.836 . . . . 0.0 110.029 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.47 49.65 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.287 -0.883 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.29 -51.64 62.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.368 -0.832 . . . . 0.0 109.985 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.779 ' O ' HG23 ' A' ' 108' ' ' VAL . 38.7 mt-10 -63.89 -31.02 72.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.854 . . . . 0.0 110.008 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.828 HD21 ' CE2' ' A' ' 140' ' ' PHE . 24.9 tp -68.48 -40.75 80.86 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.829 . . . . 0.0 110.032 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -67.23 -39.34 86.23 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 0.0 110.069 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -66.4 -40.36 89.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.409 -0.807 . . . . 0.0 110.228 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 104' ' ' GLU . 90.3 t -64.59 -39.33 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.412 -0.805 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.96 -33.26 75.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.284 -0.885 . . . . 0.0 110.108 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 m -76.9 -40.96 45.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.394 -0.816 . . . . 0.0 110.194 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.0 m -61.81 -44.23 97.27 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.388 -0.82 . . . . 0.0 110.072 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.412 HD13 ' CD2' ' A' ' 85' ' ' LEU . 82.1 mt -60.8 -26.64 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.356 -0.84 . . . . 0.0 110.108 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.57 28.17 25.14 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 134.58 47.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.408 -1.054 . . . . 0.0 110.069 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.4 tpmp? -77.11 63.97 2.47 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.34 -0.85 . . . . 0.0 110.202 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.81 100.86 5.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.388 -0.82 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.0 p -63.05 -167.25 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.389 -0.819 . . . . 0.0 110.169 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.68 -31.58 65.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.851 . . . . 0.0 110.142 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.98 97.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.367 -0.833 . . . . 0.0 110.01 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -62.56 -53.22 57.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 110.075 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.439 HG12 HD12 ' A' ' 125' ' ' LEU . 61.3 t -59.18 -28.68 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.849 . . . . 0.0 110.003 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.09 -48.5 65.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.382 -0.824 . . . . 0.0 109.994 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.62 -33.58 75.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.628 ' HG2' HD13 ' A' ' 143' ' ' LEU . 5.5 ttp -76.42 -31.23 57.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 109.976 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.439 HD12 HG12 ' A' ' 121' ' ' VAL . 7.4 mt -69.83 -33.59 72.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.406 -0.809 . . . . 0.0 110.078 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -65.23 -39.7 93.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.84 . . . . 0.0 110.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.08 -27.3 39.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.322 -0.861 . . . . 0.0 110.383 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.644 HG11 ' HD1' ' A' ' 140' ' ' PHE . 59.5 t -91.07 -57.65 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.247 -0.908 . . . . 0.0 110.212 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.5 m -56.9 130.64 46.74 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.381 -0.824 . . . . 0.0 110.323 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.0 -32.49 7.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.846 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 136.07 54.15 0.06 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.8 t -132.2 -67.92 0.64 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.325 -1.103 . . . . 0.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.68 -49.49 0.47 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.616 -1.393 . . . . 0.0 109.616 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -99.28 129.94 45.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.307 -1.114 . . . . 0.0 110.213 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 84.6 mt -100.55 154.43 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.45 135.38 33.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.341 -0.85 . . . . 0.0 110.2 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 89' ' ' PHE . 1.7 pt -73.87 -17.96 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.371 -0.831 . . . . 0.0 110.477 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.94 -54.12 49.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.908 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -68.66 -42.01 78.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.38 -0.825 . . . . 0.0 110.205 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.828 ' CE2' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.63 -40.98 93.12 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.37 -0.831 . . . . 0.0 110.056 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.45 87.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.186 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.65 -39.66 76.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.37 -0.831 . . . . 0.0 110.198 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.628 HD13 ' HG2' ' A' ' 124' ' ' MET . 3.2 mt -60.54 -34.69 74.5 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.343 -0.848 . . . . 0.0 110.234 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.71 -33.34 41.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.334 -0.854 . . . . 0.0 110.335 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.5 p -102.61 -73.7 0.65 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.395 -0.815 . . . . 0.0 110.397 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.265 -179.875 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.148 0.499 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -65.4 167.82 8.07 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.312 -0.867 . . . . 0.0 110.126 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -112.0 -173.47 2.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.381 -0.824 . . . . 0.0 110.212 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.485 HD22 ' HE2' ' A' ' 12' ' ' PHE . 18.7 mt -60.15 139.87 57.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.383 -0.823 . . . . 0.0 110.321 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 p -84.89 -179.94 7.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.379 -0.826 . . . . 0.0 110.116 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.09 -35.45 78.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.347 -0.845 . . . . 0.0 110.138 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.87 -39.95 79.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.449 -0.782 . . . . 0.0 110.016 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 18.2 mm-40 -69.41 -43.46 73.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.31 -32.4 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.326 -0.859 . . . . 0.0 110.092 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.48 70.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.391 -0.818 . . . . 0.0 110.095 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -68.52 -48.53 64.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.388 -0.82 . . . . 0.0 110.127 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 25.8 m-85 -61.27 -38.54 87.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 110.069 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 9.2 ttmt -61.8 -41.7 98.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.421 -0.799 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.9 -49.26 78.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.337 -0.852 . . . . 0.0 110.319 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.58 -27.2 63.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.403 -0.811 . . . . 0.0 110.259 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.9 t80 -76.16 -41.88 48.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.268 -0.895 . . . . 0.0 110.122 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.07 -28.09 65.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.327 -0.858 . . . . 0.0 110.129 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.43 -31.54 72.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.349 -0.844 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -107.4 28.29 8.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.416 -0.803 . . . . 0.0 110.245 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -126.93 71.87 1.33 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.348 -0.845 . . . . 0.0 110.165 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -103.37 67.42 0.92 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.371 -0.83 . . . . 0.0 110.197 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.41 -75.23 0.39 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.33 -0.856 . . . . 0.0 110.282 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -164.95 -59.9 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.336 -0.853 . . . . 0.0 110.268 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -88.53 -172.46 3.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.381 -0.825 . . . . 0.0 110.244 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.59 82.79 0.47 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -154.64 144.81 21.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.402 -1.058 . . . . 0.0 110.146 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.6 pt -125.84 159.98 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 0.0 110.239 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.4 m -84.72 160.07 20.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.44 -0.788 . . . . 0.0 110.248 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -38.05 82.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.434 -0.791 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.99 -28.04 62.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.414 -0.804 . . . . 0.0 110.278 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.812 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.2 mt-10 -90.71 -19.17 23.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.323 -0.861 . . . . 0.0 110.266 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD22 HD13 ' A' ' 55' ' ' ILE . 59.7 tp -54.68 -51.16 66.38 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -0.872 . . . . 0.0 110.454 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.28 -41.46 88.95 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.337 -0.852 . . . . 0.0 110.22 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.3 m -66.93 -38.29 85.91 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.353 -0.842 . . . . 0.0 110.055 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.1 t -62.39 -38.59 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.411 -0.805 . . . . 0.0 109.927 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.0 mtt -68.21 -34.56 76.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.406 -0.809 . . . . 0.0 109.861 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -66.61 -35.02 79.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.39 -0.819 . . . . 0.0 110.183 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.26 -34.62 48.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.837 . . . . 0.0 110.185 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.19 -24.29 67.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.307 -0.87 . . . . 0.0 110.221 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.98 32.0 1.63 Allowed Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.8 mt -121.01 -178.59 3.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.368 -1.077 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -168.89 68.66 0.7 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.284 -0.885 . . . . 0.0 110.182 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.63 137.52 27.7 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.756 1.398 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.83 165.79 4.99 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.33 -0.856 . . . . 0.0 110.11 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -56.25 -28.27 57.93 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.04 -41.46 74.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 0.0 110.012 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -35.17 77.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.36 -0.837 . . . . 0.0 110.093 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.6 -41.4 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.373 -0.829 . . . . 0.0 110.016 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -61.76 -40.07 93.85 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.351 -0.843 . . . . 0.0 110.054 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -62.78 -49.07 76.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.297 -0.877 . . . . 0.0 110.094 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.39 -38.98 93.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.357 -0.84 . . . . 0.0 110.044 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.5 mtt -69.15 -29.35 67.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.434 -0.791 . . . . 0.0 109.999 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -68.05 -42.16 80.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.429 -0.794 . . . . 0.0 110.084 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -70.27 -32.17 69.86 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.413 -0.804 . . . . 0.0 110.052 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.504 ' O ' HG23 ' A' ' 57' ' ' VAL . 19.7 mt -86.32 -59.05 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.396 -0.815 . . . . 0.0 109.964 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -59.89 111.52 1.5 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.315 -0.865 . . . . 0.0 110.178 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 55' ' ' ILE . 73.3 t -120.42 -48.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.416 -0.802 . . . . 0.0 110.266 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -102.61 -46.45 4.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.382 -0.824 . . . . 0.0 110.612 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.97 -65.52 0.01 OUTLIER Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -119.17 -38.55 3.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.328 -1.101 . . . . 0.0 110.546 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.1 t60 56.68 108.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.435 -0.79 . . . . 0.0 110.515 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -79.71 125.97 30.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.303 -0.873 . . . . 0.0 110.026 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.403 HD11 HD13 ' A' ' 55' ' ' ILE . 78.6 mt -85.18 135.82 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.375 -0.828 . . . . 0.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -96.25 160.2 14.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.36 -0.837 . . . . 0.0 110.011 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.828 ' CE2' HD11 ' A' ' 69' ' ' LEU . 15.8 t80 -57.72 -36.65 72.3 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.895 . . . . 0.0 110.279 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -62.78 -53.06 60.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.346 -0.846 . . . . 0.0 110.097 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.53 -29.81 70.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.413 -0.804 . . . . 0.0 110.046 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -69.22 -49.51 55.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.406 -0.809 . . . . 0.0 110.086 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.828 HD11 ' CE2' ' A' ' 65' ' ' PHE . 44.9 mt -60.26 -32.2 70.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.282 -0.886 . . . . 0.0 110.057 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.14 -49.75 47.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.402 -0.811 . . . . 0.0 110.055 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.57 -36.74 79.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.324 -0.86 . . . . 0.0 110.104 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.724 ' O ' HD12 ' A' ' 76' ' ' LEU . 92.5 mmm -69.05 -42.16 76.68 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.452 -0.78 . . . . 0.0 109.927 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -31.95 69.68 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.376 -0.828 . . . . 0.0 109.935 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.71 -30.93 41.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.428 -0.795 . . . . 0.0 109.618 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -83.16 -34.01 26.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.45 -0.781 . . . . 0.0 109.78 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 72' ' ' MET . 2.2 mt -95.19 -33.39 12.64 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.418 -0.801 . . . . 0.0 109.879 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 41.36 -158.81 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.706 -0.621 . . . . 0.0 111.214 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -168.38 -52.27 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.35 -0.844 . . . . 0.0 110.106 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -156.64 -170.31 3.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.311 -0.868 . . . . 0.0 110.152 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -167.91 122.12 0.95 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.282 -0.886 . . . . 0.0 110.284 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.0 m -76.19 -28.17 57.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.307 -0.871 . . . . 0.0 110.177 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -61.07 -54.77 40.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.32 -0.863 . . . . 0.0 110.2 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.07 -33.41 64.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.384 -0.822 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -44.53 95.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.402 -0.811 . . . . 0.0 110.019 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -46.96 83.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 110.142 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.15 -33.71 72.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.452 -0.78 . . . . 0.0 110.234 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -68.66 -49.06 62.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.36 -0.838 . . . . 0.0 110.105 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.69 -40.93 98.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.339 -0.851 . . . . 0.0 110.211 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.533 ' HB3' HD13 ' A' ' 137' ' ' ILE . 8.0 m-85 -63.97 -32.86 74.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.358 -0.839 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -67.71 -44.22 78.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.307 -0.87 . . . . 0.0 110.265 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.2 t -60.97 -40.74 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.272 -0.892 . . . . 0.0 110.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.406 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.1 m-85 -67.56 -27.34 66.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.294 -0.879 . . . . 0.0 110.159 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.46 142.86 42.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.399 -0.813 . . . . 0.0 110.239 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -108.88 41.17 1.65 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.32 -0.862 . . . . 0.0 110.259 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -158.3 -43.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.825 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.3 29.19 6.45 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.601 ' OD2' HD12 ' A' ' 99' ' ' LEU . 48.7 p-10 -113.61 -17.15 12.23 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.344 -1.091 . . . . 0.0 110.518 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.77 47.94 2.83 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.601 HD12 ' OD2' ' A' ' 97' ' ' ASP . 85.7 mt -139.02 110.54 7.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.388 -1.066 . . . . 0.0 110.13 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.9 pt -125.97 160.36 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.377 -0.827 . . . . 0.0 110.199 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -79.8 160.21 26.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.164 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.34 -36.13 60.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.34 -0.85 . . . . 0.0 110.401 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.88 77.73 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.284 -0.885 . . . . 0.0 110.105 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.9 mt-10 -62.71 -35.29 79.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.359 -0.838 . . . . 0.0 109.951 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.544 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -62.25 -39.87 94.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.462 -0.774 . . . . 0.0 110.037 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -70.96 -35.83 72.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.349 -0.844 . . . . 0.0 110.161 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.44 -29.09 65.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.385 -0.822 . . . . 0.0 110.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 104' ' ' GLU . 60.0 t -76.38 -41.82 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.296 -0.877 . . . . 0.0 109.95 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 105' ' ' LEU . 5.3 mt -63.74 -36.71 84.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.326 -0.859 . . . . 0.0 110.15 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.4 m -77.66 -28.8 51.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.373 -0.829 . . . . 0.0 110.192 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -74.39 -42.18 59.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.351 -0.843 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.495 HD11 HG12 ' A' ' 108' ' ' VAL . 61.5 mt -62.39 -27.0 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.398 -0.814 . . . . 0.0 110.158 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.29 33.07 23.94 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.33 164.86 25.98 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.364 -1.08 . . . . 0.0 110.16 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.09 62.26 1.27 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.386 -0.821 . . . . 0.0 110.2 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.443 HD11 HD22 ' A' ' 144' ' ' LEU . 33.9 mt -125.57 112.26 15.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.851 . . . . 0.0 110.197 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 78.1 p -62.98 -174.17 0.07 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.378 -0.827 . . . . 0.0 110.164 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -77.74 -30.28 51.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.318 -0.864 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.41 96.42 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.419 -0.801 . . . . 0.0 110.2 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -61.41 -49.36 77.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.348 -0.845 . . . . 0.0 110.218 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.527 HG12 HD12 ' A' ' 125' ' ' LEU . 79.3 t -62.13 -27.93 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.339 -0.851 . . . . 0.0 110.069 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.84 -43.41 83.75 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.356 -0.84 . . . . 0.0 110.013 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -32.52 72.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.422 -0.799 . . . . 0.0 110.082 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.493 ' O ' HG23 ' A' ' 128' ' ' VAL . 11.2 mtm -79.07 -26.68 43.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.342 -0.849 . . . . 0.0 110.26 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.527 HD12 HG12 ' A' ' 121' ' ' VAL . 3.6 mt -71.61 -44.88 63.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.279 -0.888 . . . . 0.0 110.198 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -65.22 -31.1 72.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.346 -0.846 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.86 -28.67 39.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 0.0 110.367 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.773 HG12 HG23 ' A' ' 135' ' ' ILE . 59.9 t -96.18 -54.71 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.336 -0.852 . . . . 0.0 110.194 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.0 t -63.47 140.16 58.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.295 -0.878 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -115.07 36.47 3.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.352 -0.842 . . . . 0.0 110.195 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.47 36.91 78.19 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.9 m -118.4 -35.57 3.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -1.055 . . . . 0.0 110.188 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.06 -38.01 3.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -94.73 135.85 35.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.413 -1.051 . . . . 0.0 110.213 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.773 HG23 HG12 ' A' ' 128' ' ' VAL . 87.3 mt -123.35 144.1 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.391 -0.818 . . . . 0.0 110.149 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -82.98 126.01 32.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.373 -0.83 . . . . 0.0 110.165 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.533 HD13 ' HB3' ' A' ' 89' ' ' PHE . 18.1 pt -63.95 -21.77 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.385 -0.822 . . . . 0.0 110.354 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -61.98 -46.7 88.12 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.308 -0.87 . . . . 0.0 110.19 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -61.82 -52.39 64.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.389 -0.819 . . . . 0.0 110.203 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.544 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.61 -39.75 94.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.355 -0.84 . . . . 0.0 110.055 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.8 -33.86 76.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.42 -0.8 . . . . 0.0 110.185 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.69 62.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.384 -0.822 . . . . 0.0 110.214 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.34 -36.44 76.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.338 -0.851 . . . . 0.0 110.145 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.443 HD22 HD11 ' A' ' 116' ' ' LEU . 84.3 mt -78.24 -28.05 47.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.198 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.9 m -67.49 143.67 56.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.187 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 21.9 pttt . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.189 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.227 0.537 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -152.01 151.7 31.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.33 -0.856 . . . . 0.0 110.205 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 52.56 -170.79 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.354 -0.841 . . . . 0.0 110.347 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' O ' HD11 ' A' ' 9' ' ' ILE . 14.5 mt -54.51 121.63 8.79 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.288 -0.882 . . . . 0.0 110.441 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p -69.69 174.46 5.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.301 -0.875 . . . . 0.0 110.149 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.54 -32.76 72.84 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.326 -0.859 . . . . 0.0 110.242 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -64.66 -52.11 59.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 110.092 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.485 ' OE1' HD23 ' A' ' 4' ' ' LEU . 56.3 mt-30 -62.8 -42.08 99.56 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.32 -0.862 . . . . 0.0 110.13 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.646 HD11 ' O ' ' A' ' 4' ' ' LEU . 71.9 mt -66.88 -36.28 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.317 -0.864 . . . . 0.0 109.991 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.22 82.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.351 -0.843 . . . . 0.0 110.091 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -47.87 66.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.397 -0.814 . . . . 0.0 110.158 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.528 ' HE2' HD22 ' A' ' 4' ' ' LEU . 24.5 m-85 -62.74 -38.28 89.9 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.286 -0.884 . . . . 0.0 110.003 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 2.1 ttmt -61.68 -39.63 92.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.379 -0.825 . . . . 0.0 110.149 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.98 -52.25 60.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.286 -0.884 . . . . 0.0 110.151 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.568 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.89 -35.38 79.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 0.0 110.142 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.659 ' CE1' HG23 ' A' ' 27' ' ' ILE . 9.7 t80 -71.3 -39.54 71.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.797 . . . . 0.0 110.091 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.65 -29.38 69.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 110.118 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 15' ' ' ALA . 20.3 mt -62.15 -38.0 87.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.464 -0.773 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -101.72 24.39 9.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 0.0 110.343 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -108.55 123.09 48.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 110.11 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -79.33 -92.74 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.4 -0.812 . . . . 0.0 110.4 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -173.07 43.52 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.949 -1.094 . . . . 0.0 110.203 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -101.97 -63.76 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.879 . . . . 0.0 110.365 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -150.57 27.52 0.73 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.277 -0.889 . . . . 0.0 110.173 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.02 51.42 45.38 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.5 p -139.16 154.63 48.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -1.061 . . . . 0.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.659 HG23 ' CE1' ' A' ' 16' ' ' PHE . 40.8 pt -120.42 158.5 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.368 -0.833 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -80.76 158.96 25.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.383 -0.823 . . . . 0.0 110.269 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.39 -39.55 93.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.356 -0.84 . . . . 0.0 110.217 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.6 p -55.32 -27.2 45.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.364 -0.835 . . . . 0.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.849 ' O ' HG23 ' A' ' 35' ' ' VAL . 45.0 mt-10 -91.4 -15.65 28.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 110.44 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.3 tp -55.15 -55.9 25.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.224 -0.922 . . . . 0.0 110.492 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.84 76.38 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.353 -0.842 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 m -66.87 -40.6 87.88 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.432 -0.792 . . . . 0.0 109.917 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.2 t -58.33 -41.14 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.272 -0.892 . . . . 0.0 109.587 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mtt -69.78 -28.02 65.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.407 -0.808 . . . . 0.0 109.518 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 38' ' ' SER . 0.3 OUTLIER -65.96 -38.51 88.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.451 -0.781 . . . . 0.0 109.905 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 37' ' ' ARG . 15.3 m -80.15 -32.53 38.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.379 -0.825 . . . . 0.0 110.333 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.45 -26.07 68.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.413 -0.804 . . . . 0.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.06 32.65 2.16 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 mt -116.11 176.23 5.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -1.084 . . . . 0.0 110.177 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -166.34 68.79 1.09 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.406 -0.809 . . . . 0.0 110.078 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.64 137.41 27.48 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 O-C-N 123.77 1.405 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.2 m -62.09 171.06 1.9 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.401 -0.812 . . . . 0.0 110.082 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.0 -28.56 67.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.882 . . . . 0.0 110.133 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.51 -41.52 72.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 0.0 110.028 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.49 -38.62 87.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.457 -0.777 . . . . 0.0 110.142 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 44' ' ' SER . 60.7 t -66.33 -40.18 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.338 -0.851 . . . . 0.0 109.926 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -62.65 -38.32 89.86 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.4 -0.813 . . . . 0.0 110.144 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -63.28 -47.78 80.91 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.431 -0.793 . . . . 0.0 110.066 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.53 -41.66 96.23 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.386 -0.822 . . . . 0.0 110.078 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.0 mtt -69.25 -29.44 67.36 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.453 -0.779 . . . . 0.0 110.057 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.68 -38.09 80.08 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.115 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.86 -29.14 39.97 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.294 -0.879 . . . . 0.0 110.056 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 57' ' ' VAL . 30.1 mt -89.29 -63.6 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.407 -0.808 . . . . 0.0 109.962 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -58.55 92.18 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.38 -0.825 . . . . 0.0 110.341 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 55' ' ' ILE . 78.5 t -97.64 -32.89 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.443 -0.786 . . . . 0.0 110.138 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -127.43 -150.89 0.46 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.365 -0.834 . . . . 0.0 110.256 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.1 -46.42 85.2 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -147.94 133.18 18.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.332 -1.099 . . . . 0.0 110.347 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -119.72 128.1 53.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.375 -0.828 . . . . 0.0 110.151 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.54 117.74 29.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.352 -0.843 . . . . 0.0 110.115 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.1 mt -80.18 128.8 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.326 -0.858 . . . . 0.0 110.23 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.49 160.21 16.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.38 -0.825 . . . . 0.0 109.996 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.686 ' CE2' HD11 ' A' ' 69' ' ' LEU . 15.4 t80 -59.07 -30.36 68.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.297 -0.877 . . . . 0.0 110.3 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t -67.34 -54.36 21.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 110.134 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -63.14 -33.91 76.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.384 -0.823 . . . . 0.0 110.125 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.49 -49.71 72.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.133 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.686 HD11 ' CE2' ' A' ' 65' ' ' PHE . 44.3 mt -60.6 -33.02 72.12 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.417 -0.802 . . . . 0.0 110.242 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.72 -48.09 49.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.404 -0.81 . . . . 0.0 110.129 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.49 HD13 HD11 ' A' ' 55' ' ' ILE . 30.8 mt -62.13 -41.05 97.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.409 -0.807 . . . . 0.0 110.036 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.8 mmm -65.79 -34.47 78.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.438 -0.789 . . . . 0.0 110.091 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t -63.8 -41.18 97.96 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.419 -0.801 . . . . 0.0 110.014 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -69.48 -32.12 70.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.085 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -85.9 -28.93 24.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.355 -0.841 . . . . 0.0 110.244 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.479 HD11 ' CZ ' ' A' ' 12' ' ' PHE . 15.2 mt -63.09 -34.19 77.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.377 -0.827 . . . . 0.0 110.177 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -89.19 178.01 6.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.419 -0.8 . . . . 0.0 110.161 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 t -91.89 172.44 8.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.295 -0.878 . . . . 0.0 110.181 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -106.58 42.61 1.25 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.396 -0.815 . . . . 0.0 110.182 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -103.96 -7.44 20.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.292 -0.88 . . . . 0.0 110.514 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.6 p -58.37 -23.02 55.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.185 -0.947 . . . . 0.0 110.47 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -58.28 -59.1 5.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.276 -0.89 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -58.05 -33.06 68.61 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -0.798 . . . . 0.0 110.223 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.95 -43.02 80.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.132 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.417 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -63.87 -42.65 97.47 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.407 -0.808 . . . . 0.0 110.066 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.29 -33.6 74.96 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.391 -0.818 . . . . 0.0 109.988 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -49.24 71.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.446 -0.784 . . . . 0.0 110.199 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.09 99.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.39 -0.819 . . . . 0.0 110.173 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HB3' HD13 ' A' ' 137' ' ' ILE . 11.4 m-85 -64.32 -33.76 76.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.315 -0.866 . . . . 0.0 110.109 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -43.3 95.35 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.308 -0.87 . . . . 0.0 109.965 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.8 t -64.15 -37.93 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.431 -0.793 . . . . 0.0 110.002 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -79.97 -14.91 58.23 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.392 -0.817 . . . . 0.0 110.484 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -57.33 129.92 43.96 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.247 -0.908 . . . . 0.0 110.369 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -109.12 26.23 10.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.294 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -134.32 -59.85 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.337 -0.852 . . . . 0.0 110.106 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.89 -28.76 1.14 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -99.74 -38.45 8.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.415 -1.05 . . . . 0.0 110.323 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.74 67.0 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.6 mt -131.93 108.33 9.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.324 -1.103 . . . . 0.0 110.108 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.5 pt -128.62 160.16 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.33 -0.856 . . . . 0.0 110.184 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.1 t -79.89 160.18 26.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.367 -0.833 . . . . 0.0 110.119 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.72 -26.7 14.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.302 -0.874 . . . . 0.0 110.569 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -50.78 60.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.721 ' O ' HG23 ' A' ' 108' ' ' VAL . 21.5 mt-10 -65.61 -33.33 75.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 110.052 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.793 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.2 tp -68.86 -32.67 72.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.0 110.172 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -73.23 -42.2 62.87 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 110.166 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -66.44 -29.29 69.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.427 -0.796 . . . . 0.0 110.215 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.6 t -79.19 -43.43 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.328 -0.857 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 112' ' ' ILE . 39.4 mt -62.01 -29.89 70.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.35 -0.844 . . . . 0.0 110.183 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.8 m -79.2 -29.37 42.84 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.332 -0.855 . . . . 0.0 110.133 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 m -77.48 -37.48 51.17 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.35 -0.844 . . . . 0.0 110.144 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 109' ' ' LEU . 62.7 mt -61.05 -27.1 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.36 -0.837 . . . . 0.0 110.174 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.62 28.87 25.65 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.79 -12.56 61.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.345 -1.091 . . . . 0.0 110.349 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 tttt 54.94 47.47 22.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.194 -0.941 . . . . 0.0 110.402 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt -99.66 115.51 29.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.397 -0.814 . . . . 0.0 110.227 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -61.21 162.81 7.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 110.163 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.36 -33.35 73.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.289 -0.882 . . . . 0.0 110.203 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.24 86.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.317 -0.864 . . . . 0.0 110.177 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.44 -52.33 47.46 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.405 -0.81 . . . . 0.0 110.108 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 125' ' ' LEU . 57.4 t -61.45 -29.23 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.359 -0.838 . . . . 0.0 109.95 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -65.93 -43.23 88.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.382 -0.824 . . . . 0.0 109.956 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.2 -31.84 69.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.345 -0.847 . . . . 0.0 110.067 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.448 ' HG2' HD13 ' A' ' 143' ' ' LEU . 1.1 ttp -79.98 -29.69 39.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.44 -0.787 . . . . 0.0 110.144 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 125' ' ' LEU . 12.8 mt -72.82 -33.52 66.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.338 -0.851 . . . . 0.0 110.235 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -66.24 -37.34 85.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -0.842 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -80.2 -29.82 38.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.343 -0.848 . . . . 0.0 110.324 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.588 HG12 HG23 ' A' ' 135' ' ' ILE . 62.6 t -90.4 -57.61 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.401 -0.812 . . . . 0.0 110.23 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 t -59.98 142.62 53.52 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.346 -0.847 . . . . 0.0 110.236 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -115.26 -44.41 3.0 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.95 -24.08 0.71 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.1 m -56.66 -27.33 58.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.298 -1.119 . . . . 0.0 110.458 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.33 31.12 6.63 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -154.32 129.35 9.55 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.382 -1.069 . . . . 0.0 110.173 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.588 HG23 HG12 ' A' ' 128' ' ' VAL . 86.1 mt -112.84 147.36 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.09 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -93.91 122.48 36.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.437 -0.789 . . . . 0.0 110.188 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 89' ' ' PHE . 1.3 pp -61.18 -21.43 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.327 -0.858 . . . . 0.0 110.362 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -60.15 -54.66 43.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.33 -0.856 . . . . 0.0 110.179 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.75 -36.04 82.56 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.84 . . . . 0.0 110.142 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.793 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -70.47 -40.09 73.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.387 -0.82 . . . . 0.0 109.998 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.63 -33.34 75.4 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.341 -0.849 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.53 -32.18 42.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.324 -0.86 . . . . 0.0 110.142 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.448 HD13 ' HG2' ' A' ' 124' ' ' MET . 2.5 mt -65.38 -35.33 80.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.328 -0.858 . . . . 0.0 110.231 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.416 HD11 HD21 ' A' ' 109' ' ' LEU . 90.2 mt -79.37 -30.92 42.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.287 -0.883 . . . . 0.0 110.229 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -85.98 62.4 7.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.321 -0.862 . . . . 0.0 110.254 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.235 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.193 0.521 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.74 43.74 31.02 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.31 -0.869 . . . . 0.0 110.454 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -152.03 166.65 30.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.356 -0.84 . . . . 0.0 110.24 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.541 HD22 ' HE2' ' A' ' 12' ' ' PHE . 24.8 mt -64.05 132.75 51.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 p -85.05 177.76 7.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -0.849 . . . . 0.0 110.119 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.01 -37.55 85.3 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.357 -0.839 . . . . 0.0 110.19 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.34 -43.34 91.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.377 -0.827 . . . . 0.0 110.056 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 25.4 mm-40 -67.56 -45.02 76.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.43 -0.794 . . . . 0.0 110.132 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.9 mt -65.64 -28.51 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.323 -0.86 . . . . 0.0 109.948 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.27 -37.04 71.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.28 -0.888 . . . . 0.0 110.076 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -66.78 -47.69 71.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.321 -0.862 . . . . 0.0 110.097 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.541 ' HE2' HD22 ' A' ' 4' ' ' LEU . 26.3 m-85 -61.82 -39.14 90.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.311 -0.868 . . . . 0.0 110.054 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -60.25 -40.45 90.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 0.0 110.146 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.11 -53.61 53.0 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.117 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.28 -30.51 70.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.38 -0.825 . . . . 0.0 110.151 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.673 ' CE1' HG23 ' A' ' 27' ' ' ILE . 14.2 t80 -74.25 -39.6 62.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.353 -0.842 . . . . 0.0 110.273 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.95 66.58 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.33 -0.856 . . . . 0.0 110.147 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 15' ' ' ALA . 33.1 mt -63.66 -39.72 95.04 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.371 -0.831 . . . . 0.0 110.283 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CZ ' HG22 ' A' ' 34' ' ' THR . 92.9 m-85 -102.23 25.43 8.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.332 -0.855 . . . . 0.0 110.131 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -133.09 82.49 2.0 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.336 -0.852 . . . . 0.0 110.163 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -120.01 -8.86 9.72 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.395 -0.815 . . . . 0.0 110.664 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -127.88 28.11 5.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.186 -0.946 . . . . 0.0 110.391 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' GLY . 3.1 m-80 -151.18 25.79 0.71 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m120 55.44 -86.62 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.382 -0.824 . . . . 0.0 110.571 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 23' ' ' ASN . . . -129.56 54.77 0.78 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -157.76 142.6 16.58 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.402 -1.057 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.673 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.5 pt -120.51 157.24 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.376 -0.828 . . . . 0.0 110.256 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.09 159.07 22.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.425 -0.797 . . . . 0.0 110.193 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -60.84 -27.5 68.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -0.805 . . . . 0.0 110.13 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 p -63.54 -30.41 71.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.361 -0.837 . . . . 0.0 110.185 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.822 ' O ' HG23 ' A' ' 35' ' ' VAL . 44.8 mt-10 -94.02 -14.83 25.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 0.0 110.51 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.535 HD22 ' CD1' ' A' ' 63' ' ' ILE . 65.5 tp -53.26 -57.87 9.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.207 -0.933 . . . . 0.0 110.459 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.805 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -58.03 -35.92 71.99 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.265 -0.897 . . . . 0.0 110.218 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.492 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 40.9 m -67.57 -36.02 80.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.315 -0.866 . . . . 0.0 110.034 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.1 t -62.3 -44.93 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.439 -0.788 . . . . 0.0 109.805 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.5 mtt -64.01 -34.96 79.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.44 -0.787 . . . . 0.0 109.9 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -61.31 -40.55 94.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.395 -0.816 . . . . 0.0 110.053 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 m -75.97 -33.84 59.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.415 -0.803 . . . . 0.0 110.078 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.52 HD13 ' CE ' ' A' ' 72' ' ' MET . 16.9 mt -61.9 -23.31 66.24 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.394 -0.817 . . . . 0.0 110.224 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.48 34.91 0.68 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.5 mt -127.53 178.11 6.31 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.257 -1.143 . . . . 0.0 110.117 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 t -167.35 67.19 0.86 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.391 -0.818 . . . . 0.0 110.207 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HB2' ' CB ' ' A' ' 47' ' ' GLU . 47.4 Cg_endo -75.22 137.33 21.1 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 O-C-N 123.725 1.382 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.3 173.46 1.17 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.45 -0.781 . . . . 0.0 110.013 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.04 -28.73 66.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -0.861 . . . . 0.0 110.191 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.4 -43.35 77.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.453 -0.779 . . . . 0.0 109.983 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' CB ' ' HB2' ' A' ' 43' ' ' PRO . 5.5 mm-40 -64.8 -42.04 95.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -0.839 . . . . 0.0 109.989 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.805 HG13 ' HB2' ' A' ' 33' ' ' ALA . 67.0 t -60.89 -39.15 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.345 -0.847 . . . . 0.0 109.867 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -62.47 -40.72 97.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.421 -0.799 . . . . 0.0 109.908 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.17 -47.01 88.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.392 -0.817 . . . . 0.0 110.044 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 55' ' ' ILE . 5.9 mt -60.77 -46.48 90.3 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.434 -0.791 . . . . 0.0 109.884 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 mtt -66.17 -28.65 68.93 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -0.839 . . . . 0.0 109.84 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -65.55 -37.6 87.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.311 -0.868 . . . . 0.0 109.714 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -74.14 -38.28 63.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.452 -0.78 . . . . 0.0 109.896 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.796 HD12 ' O ' ' A' ' 51' ' ' LEU . 2.1 mt -82.15 -63.79 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.404 -0.81 . . . . 0.0 109.858 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -64.59 94.32 0.12 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.382 -0.824 . . . . 0.0 110.236 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.12 -56.13 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 0.0 110.021 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.62 -33.14 4.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.394 -0.816 . . . . 0.0 110.22 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.66 -31.09 0.24 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -109.81 115.24 29.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.424 -1.045 . . . . 0.0 110.237 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -167.17 116.61 0.85 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -0.807 . . . . 0.0 110.237 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.85 149.58 21.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.377 -0.827 . . . . 0.0 110.181 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.535 ' CD1' HD22 ' A' ' 32' ' ' LEU . 80.7 mt -104.01 121.83 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.369 -0.832 . . . . 0.0 110.169 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -89.25 160.21 17.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.381 -0.824 . . . . 0.0 110.133 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.705 ' CE2' HD11 ' A' ' 69' ' ' LEU . 18.7 t80 -56.43 -30.48 62.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.297 -0.877 . . . . 0.0 110.267 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -64.9 -60.01 3.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.824 . . . . 0.0 110.1 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.18 -33.14 73.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.397 -0.815 . . . . 0.0 110.084 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.463 ' CZ ' HG11 ' A' ' 35' ' ' VAL . 75.3 t80 -63.25 -47.65 81.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.085 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.705 HD11 ' CE2' ' A' ' 65' ' ' PHE . 36.9 mt -59.53 -42.45 92.35 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.319 -0.863 . . . . 0.0 110.12 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.33 86.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.286 -0.884 . . . . 0.0 110.054 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.1 -32.84 73.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.093 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.539 ' O ' HD12 ' A' ' 76' ' ' LEU . 90.6 mmm -72.68 -35.93 67.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.336 -0.852 . . . . 0.0 110.026 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.8 p -65.47 -35.9 82.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.455 -0.778 . . . . 0.0 110.182 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -73.81 -38.34 64.62 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.303 -0.873 . . . . 0.0 109.943 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.404 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.8 mm100 -76.06 -34.85 59.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.413 -0.804 . . . . 0.0 110.175 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 72' ' ' MET . 18.9 mt -62.19 -26.86 68.58 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.403 -0.811 . . . . 0.0 110.139 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 154.43 38.59 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.353 -0.842 . . . . 0.0 110.126 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -155.55 99.82 2.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.3 -0.875 . . . . 0.0 110.245 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -123.32 53.07 1.34 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.355 -0.84 . . . . 0.0 110.155 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -158.61 43.89 0.28 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.844 . . . . 0.0 110.176 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 m -78.18 -22.48 48.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.362 -0.836 . . . . 0.0 110.332 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.58 -53.86 53.52 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.293 -0.879 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -55.66 -40.21 71.94 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.381 -0.824 . . . . 0.0 110.397 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.16 -44.45 92.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.263 -0.898 . . . . 0.0 110.137 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.449 HD22 ' HE2' ' A' ' 89' ' ' PHE . 1.3 mt -63.01 -41.56 99.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.352 -0.843 . . . . 0.0 110.211 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.0 mt -62.28 -32.89 73.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.463 -0.773 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -67.87 -47.05 69.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.31 -0.869 . . . . 0.0 110.225 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.76 90.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.351 -0.843 . . . . 0.0 110.215 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 137' ' ' ILE . 12.9 m-85 -62.56 -35.45 79.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.39 -0.819 . . . . 0.0 110.211 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -63.56 -44.34 94.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.393 -0.817 . . . . 0.0 110.173 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.83 -38.83 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.396 -0.815 . . . . 0.0 110.051 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.453 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.7 m-85 -73.54 -26.59 60.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.319 -0.863 . . . . 0.0 110.251 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -61.07 133.94 56.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.263 -0.898 . . . . 0.0 110.229 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -103.11 -31.87 9.95 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.348 -0.845 . . . . 0.0 110.168 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -33.79 70.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.292 -0.88 . . . . 0.0 110.234 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.49 -30.05 7.83 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -77.76 -67.36 0.73 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.361 -1.082 . . . . 0.0 110.187 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.58 55.82 0.01 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 mt -130.43 108.59 10.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.412 -1.052 . . . . 0.0 110.22 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.98 160.23 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.339 -0.851 . . . . 0.0 110.235 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -79.72 160.24 26.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.442 -0.786 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.82 -34.87 60.57 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.283 -0.886 . . . . 0.0 110.46 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.12 -52.53 64.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.41 -0.806 . . . . 0.0 110.181 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 108' ' ' VAL . 30.6 mt-10 -62.76 -30.08 71.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.243 -0.91 . . . . 0.0 110.035 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.71 HD21 ' CE2' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -69.42 -42.37 75.12 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.391 -0.818 . . . . 0.0 110.157 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -65.2 -42.35 93.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.41 -0.806 . . . . 0.0 110.085 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -61.81 -36.25 80.58 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.346 -0.847 . . . . 0.0 110.087 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 104' ' ' GLU . 73.6 t -71.2 -36.66 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.385 -0.822 . . . . 0.0 110.075 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 105' ' ' LEU . 1.8 mp -66.9 -29.27 69.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.438 -0.789 . . . . 0.0 110.26 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 m -78.54 -34.79 46.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.431 -0.793 . . . . 0.0 110.262 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 t -69.11 -40.92 78.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.313 -0.867 . . . . 0.0 110.223 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.78 -27.25 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.409 -0.807 . . . . 0.0 110.11 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.35 33.6 25.26 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -74.78 146.33 42.19 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.327 -1.101 . . . . 0.0 110.115 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.81 63.81 7.0 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.393 -0.817 . . . . 0.0 110.298 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.505 HD11 HD22 ' A' ' 144' ' ' LEU . 33.1 mt -109.88 114.75 28.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.848 . . . . 0.0 110.173 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -62.17 159.97 13.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.363 -0.836 . . . . 0.0 110.227 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.16 -28.3 69.03 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.395 -0.815 . . . . 0.0 110.131 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.88 -32.86 73.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.419 -0.801 . . . . 0.0 110.144 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.26 -50.16 49.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.28 -0.887 . . . . 0.0 110.119 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.71 -29.75 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.321 -0.862 . . . . 0.0 109.954 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -73.86 -51.47 16.13 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.402 -0.811 . . . . 0.0 109.96 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -64.56 -31.64 72.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.825 . . . . 0.0 110.018 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 14.5 mtp -69.51 -36.46 76.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 110.05 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.74 -42.11 86.75 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.375 -0.828 . . . . 0.0 110.142 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -60.44 -32.47 71.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.331 -0.856 . . . . 0.0 110.264 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -80.27 -44.04 20.32 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.317 -0.864 . . . . 0.0 110.314 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.597 ' CG1' HG23 ' A' ' 135' ' ' ILE . 57.4 t -80.71 -56.84 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.265 -0.897 . . . . 0.0 110.367 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.3 t -56.32 122.14 11.16 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.327 -0.858 . . . . 0.0 110.368 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -169.96 -37.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.407 -0.808 . . . . 0.0 110.333 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.7 -81.8 0.07 OUTLIER Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.8 p -124.89 -58.4 1.48 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.362 -1.081 . . . . 0.0 110.351 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.59 -36.89 0.05 OUTLIER Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -79.62 133.9 36.43 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.279 -1.13 . . . . 0.0 110.207 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.597 HG23 ' CG1' ' A' ' 128' ' ' VAL . 47.4 mt -107.95 141.31 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.364 -0.835 . . . . 0.0 110.218 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -83.34 149.68 26.59 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.355 -0.841 . . . . 0.0 110.08 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.54 HD13 ' HB3' ' A' ' 89' ' ' PHE . 4.1 pt -70.01 -18.86 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.353 -0.842 . . . . 0.0 110.605 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.01 -47.44 84.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.902 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -64.2 -51.81 61.92 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.317 -0.865 . . . . 0.0 110.123 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.71 ' CE2' HD21 ' A' ' 105' ' ' LEU . 1.2 m-85 -63.7 -32.58 74.11 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.323 -0.861 . . . . 0.0 110.109 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.53 70.11 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.397 -0.814 . . . . 0.0 110.163 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.36 -39.23 48.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.358 -0.839 . . . . 0.0 110.096 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.85 -36.43 83.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.388 -0.82 . . . . 0.0 110.226 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.505 HD22 HD11 ' A' ' 116' ' ' LEU . 89.0 mt -78.61 -16.05 57.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.858 . . . . 0.0 110.436 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.4 m -57.8 -25.9 61.21 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.251 -0.905 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 13.7 mttp . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.22 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.201 0.524 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 t -98.84 -63.84 1.09 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.44 -0.787 . . . . 0.0 110.171 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -139.75 156.34 46.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.361 -0.837 . . . . 0.0 110.233 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.582 HD22 ' HE2' ' A' ' 12' ' ' PHE . 29.6 mt -65.37 135.78 55.71 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.313 -0.867 . . . . 0.0 110.203 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.44 ' O ' HD12 ' A' ' 9' ' ' ILE . 64.5 p -85.66 173.61 10.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.391 -0.818 . . . . 0.0 110.029 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -61.87 -38.6 88.89 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.286 -0.884 . . . . 0.0 110.195 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -62.84 -47.61 82.63 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.304 -0.873 . . . . 0.0 110.082 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.2 mt-30 -63.91 -44.73 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.833 . . . . 0.0 110.057 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 5' ' ' THR . 40.7 mt -62.5 -28.12 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.368 -0.833 . . . . 0.0 109.959 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.48 -40.87 69.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.333 -0.854 . . . . 0.0 110.062 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -65.05 -47.98 75.43 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.073 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.582 ' HE2' HD22 ' A' ' 4' ' ' LEU . 22.9 m-85 -59.9 -40.03 87.41 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.34 -0.85 . . . . 0.0 110.026 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 8.6 ttmt -61.6 -39.52 91.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.481 -0.762 . . . . 0.0 110.203 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -60.72 -56.74 17.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 110.172 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.21 71.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.405 -0.81 . . . . 0.0 110.09 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -69.45 -47.82 62.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.293 -0.879 . . . . 0.0 110.162 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.1 -28.86 69.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.374 -0.829 . . . . 0.0 110.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mt -61.43 -29.45 69.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.394 -0.816 . . . . 0.0 110.205 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.474 ' CD1' HG22 ' A' ' 35' ' ' VAL . 77.8 m-85 -110.64 30.03 7.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.231 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -113.98 143.07 45.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.301 -0.874 . . . . 0.0 110.015 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -90.47 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.399 -0.813 . . . . 0.0 110.201 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -175.79 35.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.973 -1.079 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -151.48 -66.19 0.18 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.32 -0.863 . . . . 0.0 110.335 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.15 127.84 53.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.297 -0.877 . . . . 0.0 110.213 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.52 82.01 0.21 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -144.62 137.21 26.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.349 -1.089 . . . . 0.0 110.291 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.8 pt -125.22 157.99 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.377 -0.827 . . . . 0.0 110.222 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 m -79.97 158.25 26.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 0.0 110.199 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -62.22 -32.14 72.77 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.335 -0.853 . . . . 0.0 110.216 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -62.3 -31.19 71.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.398 -0.813 . . . . 0.0 110.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.7 mt-10 -83.39 -20.26 34.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.397 -0.814 . . . . 0.0 110.29 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.525 HD11 ' CE ' ' A' ' 36' ' ' MET . 69.3 tp -53.59 -50.98 64.46 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.279 -0.888 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.63 89.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.265 -0.897 . . . . 0.0 110.067 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 m -68.67 -39.07 80.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.361 -0.837 . . . . 0.0 109.916 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 31' ' ' GLU . 83.4 t -62.78 -38.13 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.417 -0.802 . . . . 0.0 109.908 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.525 ' CE ' HD11 ' A' ' 32' ' ' LEU . 67.2 mtt -71.31 -30.18 65.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.352 -0.842 . . . . 0.0 109.878 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -67.5 -36.74 81.66 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.378 -0.826 . . . . 0.0 110.027 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.2 m -80.15 -32.86 38.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.838 . . . . 0.0 110.146 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.46 -24.94 67.72 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.34 -0.85 . . . . 0.0 110.272 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.91 33.43 1.53 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.2 mt -120.45 179.25 4.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.377 -1.072 . . . . 0.0 110.227 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 p -167.72 68.21 0.85 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.826 . . . . 0.0 110.169 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.92 137.3 24.13 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 O-C-N 123.742 1.391 . . . . 0.0 110.462 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.57 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -65.07 176.05 1.39 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.375 -0.828 . . . . 0.0 110.076 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.57 -28.94 69.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.403 -0.81 . . . . 0.0 110.173 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.53 74.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.362 -0.836 . . . . 0.0 110.005 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -68.76 -34.58 75.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.45 -0.781 . . . . 0.0 109.955 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 44' ' ' SER . 60.7 t -69.61 -40.52 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.789 . . . . 0.0 109.873 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.96 -36.78 85.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.444 -0.785 . . . . 0.0 109.962 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -63.87 -48.75 75.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.328 -0.857 . . . . 0.0 109.976 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.816 ' O ' HD12 ' A' ' 55' ' ' ILE . 5.0 mp -65.06 -43.94 90.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 mtt -68.95 -26.61 65.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 0.0 109.969 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -69.37 -37.93 77.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.334 -0.854 . . . . 0.0 109.971 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -76.97 -28.29 55.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.395 -0.815 . . . . 0.0 110.09 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.816 HD12 ' O ' ' A' ' 51' ' ' LEU . 3.9 mt -94.02 -62.49 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.376 -0.827 . . . . 0.0 110.006 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.23 104.55 0.33 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.359 -0.838 . . . . 0.0 110.22 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 55' ' ' ILE . 91.2 t -94.7 -50.83 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.374 -0.829 . . . . 0.0 110.15 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -113.23 -62.96 1.51 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.281 -0.887 . . . . 0.0 110.332 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.49 -56.56 0.02 OUTLIER Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -123.71 128.75 50.07 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.434 -1.039 . . . . 0.0 110.314 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -127.34 123.74 37.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.439 -0.788 . . . . 0.0 109.918 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.99 118.88 22.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.327 -0.858 . . . . 0.0 110.255 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.451 HD11 HG21 ' A' ' 55' ' ' ILE . 98.0 mt -91.26 122.23 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.422 -0.799 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.77 160.15 20.31 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.37 -0.831 . . . . 0.0 109.849 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.3 t80 -56.76 -34.34 67.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.25 -0.906 . . . . 0.0 110.315 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 p -61.82 -57.76 10.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.334 -0.854 . . . . 0.0 110.015 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.83 -31.61 72.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 109.934 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -63.1 -48.58 77.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.43 -0.793 . . . . 0.0 109.993 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' A' ' 65' ' ' PHE . 40.2 mt -60.08 -38.65 83.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.33 -0.856 . . . . 0.0 109.884 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.99 89.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.43 -0.794 . . . . 0.0 109.76 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.595 ' CD1' HD11 ' A' ' 55' ' ' ILE . 1.1 mt -62.91 -45.96 90.05 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.357 -0.84 . . . . 0.0 109.919 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.83 ' O ' HD12 ' A' ' 76' ' ' LEU . 97.1 mmm -62.25 -33.49 74.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 0.0 109.609 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -44.2 97.63 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.349 -0.845 . . . . 0.0 109.763 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -63.87 -39.02 93.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.394 -0.816 . . . . 0.0 109.514 179.493 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.419 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 2.1 mm100 -73.15 -43.07 62.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.479 -0.763 . . . . 0.0 109.657 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.83 HD12 ' O ' ' A' ' 72' ' ' MET . 1.1 mt -92.5 46.48 1.25 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.407 -0.808 . . . . 0.0 109.842 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -158.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.358 -0.839 . . . . 0.0 110.408 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 m -60.4 89.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.456 -0.778 . . . . 0.0 110.392 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -92.83 106.13 18.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 110.031 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -97.38 -5.01 37.31 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.423 -0.798 . . . . 0.0 110.685 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.6 t -59.98 -70.46 0.17 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.949 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.0 -32.6 71.01 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.349 -0.844 . . . . 0.0 110.369 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.404 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 30.1 mt-30 -70.35 -40.79 73.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.317 -0.865 . . . . 0.0 110.027 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -60.07 -40.28 88.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.352 -0.843 . . . . 0.0 109.989 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.26 -51.42 66.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.387 -0.821 . . . . 0.0 109.814 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 82' ' ' GLU . 4.5 mt -65.26 -29.79 70.6 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.366 -0.834 . . . . 0.0 109.807 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 91' ' ' VAL . 15.0 tm-20 -76.53 -43.14 40.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.451 -0.78 . . . . 0.0 110.108 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.41 -48.33 75.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.333 -0.854 . . . . 0.0 110.213 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.591 ' CE1' HD12 ' A' ' 105' ' ' LEU . 16.4 m-85 -62.74 -37.83 88.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.162 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -61.77 -43.37 98.98 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.333 -0.854 . . . . 0.0 110.076 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 87' ' ' GLU . 61.6 t -65.3 -35.9 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.38 -0.825 . . . . 0.0 109.966 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.471 ' CE2' HG22 ' A' ' 108' ' ' VAL . 8.2 m-85 -74.45 -35.74 63.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.109 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' ASN . 24.7 t0 -62.52 -27.54 69.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.404 -0.81 . . . . 0.0 110.217 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.15 -65.36 0.19 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.55 -0.719 . . . . 0.0 110.526 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' ASP . 3.2 m-80 -54.19 -55.2 30.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.291 -0.881 . . . . 0.0 110.433 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.46 -21.51 5.69 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -55.75 -62.9 1.38 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.295 -1.121 . . . . 0.0 110.392 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.85 56.99 0.11 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mt -142.64 125.18 15.75 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.366 -1.079 . . . . 0.0 110.222 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.8 pt -140.0 160.06 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -0.852 . . . . 0.0 110.368 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.98 160.35 25.94 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.329 -0.857 . . . . 0.0 110.137 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.74 -28.37 21.85 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.409 -0.807 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.13 -53.26 39.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.136 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.741 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.4 mt-10 -61.11 -38.04 84.91 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.365 -0.835 . . . . 0.0 110.071 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.733 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 5.1 tp -62.22 -36.9 83.38 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.407 -0.808 . . . . 0.0 110.065 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -71.32 -42.78 68.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.46 -0.775 . . . . 0.0 110.133 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -66.0 -28.29 68.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.253 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 104' ' ' GLU . 96.1 t -79.96 -45.66 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.335 -0.853 . . . . 0.0 110.173 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -60.14 -29.9 68.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.395 -0.815 . . . . 0.0 110.249 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.8 m -78.16 -32.53 50.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.0 m -77.02 -37.56 54.74 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.354 -0.841 . . . . 0.0 110.162 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.734 HD11 HG12 ' A' ' 108' ' ' VAL . 57.7 mt -62.0 -26.09 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.288 -0.882 . . . . 0.0 110.226 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.95 38.75 22.25 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.523 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -75.29 -6.36 49.43 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.401 -1.058 . . . . 0.0 110.542 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? 54.63 44.37 28.75 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.157 -0.965 . . . . 0.0 110.412 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 114' ' ' GLU . 16.0 mt -104.33 124.17 48.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.322 -0.861 . . . . 0.0 110.213 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.9 p -70.32 167.18 18.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 0.0 110.256 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.44 -27.63 69.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.384 -0.822 . . . . 0.0 110.149 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.77 -47.69 84.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.355 -0.841 . . . . 0.0 110.177 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.65 -48.16 80.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.425 -0.797 . . . . 0.0 110.084 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.409 HG12 HD12 ' A' ' 125' ' ' LEU . 61.9 t -62.78 -34.1 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 109.951 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -67.44 -45.25 76.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.369 -0.832 . . . . 0.0 110.032 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.72 -28.59 66.97 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.403 -0.81 . . . . 0.0 110.084 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 128' ' ' VAL . 7.9 mtp -79.7 -34.72 39.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.374 -0.829 . . . . 0.0 110.099 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.538 HD23 ' CD1' ' A' ' 135' ' ' ILE . 6.9 mt -66.19 -41.27 90.45 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.36 -0.837 . . . . 0.0 110.169 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -66.01 -38.09 87.55 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.327 -0.858 . . . . 0.0 110.25 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.95 -36.3 36.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.31 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.729 HG12 HG23 ' A' ' 135' ' ' ILE . 73.4 t -83.23 -60.3 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.32 -0.863 . . . . 0.0 110.112 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 t -61.23 117.77 6.02 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.368 -0.832 . . . . 0.0 110.278 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.25 30.23 1.14 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.391 -0.818 . . . . 0.0 110.126 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -128.25 -94.21 0.8 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -134.39 -71.8 0.49 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.377 -1.072 . . . . 0.0 110.173 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -146.94 30.29 1.51 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -137.3 132.98 34.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -1.038 . . . . 0.0 110.169 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.729 HG23 HG12 ' A' ' 128' ' ' VAL . 85.0 mt -122.22 152.53 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.399 -0.813 . . . . 0.0 110.124 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.95 123.46 31.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.421 -0.799 . . . . 0.0 110.126 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.442 HG21 ' HB3' ' A' ' 89' ' ' PHE . 1.1 pt -63.26 -21.17 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.347 -0.846 . . . . 0.0 110.398 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.58 -39.82 84.84 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.256 -0.903 . . . . 0.0 110.178 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.17 -42.85 79.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.88 . . . . 0.0 110.136 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.733 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -67.52 -33.86 75.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.38 -0.825 . . . . 0.0 110.066 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.9 -35.05 77.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.388 -0.82 . . . . 0.0 110.149 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.41 -30.33 61.89 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.405 -0.809 . . . . 0.0 110.092 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.43 -37.79 74.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.806 . . . . 0.0 110.113 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.86 -64.3 1.22 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.315 -0.865 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.8 t 52.29 -159.06 0.12 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.434 -0.791 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.2 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.143 0.497 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -119.05 151.32 38.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.397 -0.815 . . . . 0.0 110.148 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -149.15 166.93 27.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.332 -0.855 . . . . 0.0 110.14 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.564 HD22 ' HE2' ' A' ' 12' ' ' PHE . 40.4 mt -80.59 127.53 32.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.84 . . . . 0.0 110.265 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.7 p -86.28 179.36 6.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.388 -0.82 . . . . 0.0 109.991 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.37 -36.21 81.57 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.852 . . . . 0.0 110.119 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.83 -46.01 80.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -66.57 -44.52 82.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.406 -0.809 . . . . 0.0 110.056 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.51 -29.8 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 109.84 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.62 75.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.375 -0.828 . . . . 0.0 109.853 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -65.18 -50.37 66.2 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.756 . . . . 0.0 109.983 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.564 ' HE2' HD22 ' A' ' 4' ' ' LEU . 25.3 m-85 -60.07 -33.39 72.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.332 -0.855 . . . . 0.0 109.99 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.48 -44.54 96.15 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.356 -0.84 . . . . 0.0 110.017 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.57 -47.08 87.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.34 -0.85 . . . . 0.0 110.04 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -68.69 -36.49 78.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.349 -0.845 . . . . 0.0 109.94 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.884 ' CE1' HG23 ' A' ' 27' ' ' ILE . 4.6 t80 -67.28 -48.98 66.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.414 -0.804 . . . . 0.0 110.079 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -28.5 69.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.16 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 15' ' ' ALA . 12.4 mt -62.23 -26.79 68.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.388 -0.82 . . . . 0.0 110.246 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -116.18 33.16 5.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.352 -0.843 . . . . 0.0 110.217 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -107.79 169.98 8.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.384 -0.823 . . . . 0.0 109.922 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -68.33 -83.24 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.367 -0.833 . . . . 0.0 110.058 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -173.97 29.47 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.176 -0.953 . . . . 0.0 110.5 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -173.27 -64.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.16 -0.962 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -67.27 177.52 1.82 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.39 -0.819 . . . . 0.0 110.286 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.58 59.81 0.56 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -134.82 141.08 46.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.352 -1.087 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.884 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -124.51 159.79 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.375 -0.828 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.1 m -83.89 160.15 21.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.858 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -60.22 -39.44 86.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.388 -0.82 . . . . 0.0 110.434 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -27.75 60.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.277 -0.889 . . . . 0.0 110.391 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.819 ' O ' HG23 ' A' ' 35' ' ' VAL . 26.9 mt-10 -91.59 -17.15 26.02 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.357 -0.84 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.542 HD22 HD13 ' A' ' 55' ' ' ILE . 67.8 tp -54.99 -58.69 6.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.202 -0.936 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.28 67.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.233 -0.917 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.8 m -70.23 -37.7 75.04 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.385 -0.822 . . . . 0.0 110.087 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 31' ' ' GLU . 84.2 t -61.22 -38.59 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 0.0 109.834 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.7 mtt -70.4 -36.64 74.18 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.334 -0.854 . . . . 0.0 109.801 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.1 mtp85 -65.69 -35.16 79.96 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.481 -0.762 . . . . 0.0 110.11 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.76 -33.44 40.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.46 -0.775 . . . . 0.0 110.259 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.49 -26.37 67.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.423 -0.798 . . . . 0.0 110.133 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.39 35.65 0.69 Allowed Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.0 mt -124.89 178.71 5.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.273 -1.134 . . . . 0.0 110.076 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -167.45 67.16 0.85 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.354 -0.841 . . . . 0.0 110.249 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.16 138.5 27.98 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.726 1.382 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.34 168.9 1.85 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.302 -0.874 . . . . 0.0 110.161 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.81 -28.45 67.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.238 -0.914 . . . . 0.0 110.177 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.26 76.61 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.375 -0.828 . . . . 0.0 110.064 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.13 -40.59 94.68 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.403 -0.81 . . . . 0.0 109.965 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.17 -39.65 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.339 -0.851 . . . . 0.0 110.005 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.02 -41.79 97.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.408 -0.808 . . . . 0.0 110.094 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -60.57 -49.59 76.94 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.382 -0.824 . . . . 0.0 110.122 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.18 -41.11 98.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.273 -0.892 . . . . 0.0 110.08 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.1 mtt -70.12 -28.02 65.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.414 -0.804 . . . . 0.0 109.991 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -68.68 -35.86 77.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.3 -0.875 . . . . 0.0 109.903 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -80.57 -28.62 37.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.36 -0.838 . . . . 0.0 109.953 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.542 HD13 HD22 ' A' ' 32' ' ' LEU . 28.8 mt -94.71 -65.0 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.376 -0.827 . . . . 0.0 109.983 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.47 105.61 0.45 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.424 -0.797 . . . . 0.0 110.271 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 55' ' ' ILE . 81.8 t -93.95 -55.71 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.325 -0.859 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -101.63 -27.27 13.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.407 -0.808 . . . . 0.0 110.289 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.88 -29.72 1.13 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -127.27 85.26 2.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.355 -1.085 . . . . 0.0 110.269 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.405 ' CD2' HG23 ' A' ' 55' ' ' ILE . 6.7 t60 -105.78 133.97 49.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.317 -0.865 . . . . 0.0 110.098 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -95.18 112.68 24.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.43 -0.793 . . . . 0.0 110.223 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.453 ' CD1' HD22 ' A' ' 32' ' ' LEU . 77.9 mt -79.84 135.02 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.873 . . . . 0.0 110.114 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.11 160.04 15.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.371 -0.831 . . . . 0.0 110.144 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 69' ' ' LEU . 22.0 t80 -59.38 -26.46 65.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.39 -0.819 . . . . 0.0 110.375 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 t -72.49 -51.06 21.73 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.257 -0.902 . . . . 0.0 110.176 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 71' ' ' LEU . 7.6 mm-40 -67.07 -32.2 73.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.374 -0.829 . . . . 0.0 110.126 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.24 -48.96 71.44 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.302 -0.873 . . . . 0.0 110.12 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 65' ' ' PHE . 62.9 mt -60.16 -40.9 91.52 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.084 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.32 73.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.326 -0.859 . . . . 0.0 110.055 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 67' ' ' GLU . 27.4 mt -65.42 -34.63 78.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.369 -0.832 . . . . 0.0 109.972 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.686 ' O ' HD12 ' A' ' 76' ' ' LEU . 76.0 mmm -66.88 -42.09 86.17 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.389 -0.82 . . . . 0.0 110.113 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -43.37 98.99 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.313 -0.867 . . . . 0.0 110.162 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -67.72 -26.54 66.21 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.344 -0.847 . . . . 0.0 110.146 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -85.87 -46.2 10.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.379 -0.826 . . . . 0.0 110.23 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.686 HD12 ' O ' ' A' ' 72' ' ' MET . 5.2 mt -64.39 -78.64 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.338 -0.851 . . . . 0.0 110.086 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 tptp 50.32 54.38 11.23 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.282 -0.886 . . . . 0.0 110.675 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.2 p -60.89 147.78 41.85 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.318 -0.864 . . . . 0.0 110.133 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -82.07 57.62 3.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.346 -0.846 . . . . 0.0 110.233 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t70 52.12 -175.11 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.27 -0.894 . . . . 0.0 110.474 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.78 -9.88 59.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.399 -0.813 . . . . 0.0 110.537 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -55.63 -55.29 33.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.178 -0.951 . . . . 0.0 110.433 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -55.31 -41.91 73.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.342 -0.849 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.87 -36.44 80.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.364 -0.835 . . . . 0.0 109.796 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.433 HD22 ' HE2' ' A' ' 89' ' ' PHE . 2.4 mt -69.81 -44.7 69.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.451 -0.78 . . . . 0.0 109.823 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.67 -30.91 71.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 0.0 109.922 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.8 -50.1 63.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 109.877 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.87 89.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.399 -0.813 . . . . 0.0 109.993 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.675 ' HB3' HG21 ' A' ' 137' ' ' ILE . 10.8 m-85 -61.07 -36.12 78.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.428 -0.795 . . . . 0.0 109.994 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -61.94 -45.44 93.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.398 -0.814 . . . . 0.0 109.909 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.05 -32.58 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.395 -0.816 . . . . 0.0 109.878 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.19 -30.61 54.88 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.437 -0.789 . . . . 0.0 110.134 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 1.0 OUTLIER -63.69 -42.87 97.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.369 -0.832 . . . . 0.0 110.24 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 93' ' ' ASP . 11.7 tptt 67.6 -61.38 0.36 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.528 -0.733 . . . . 0.0 110.721 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -50.5 -33.05 19.97 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.174 -0.954 . . . . 0.0 110.705 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.31 -48.98 0.9 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -57.11 -175.58 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.229 -1.159 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -116.95 68.91 0.29 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mt -146.94 124.41 11.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -1.103 . . . . 0.0 110.203 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.6 pt -139.44 160.28 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.394 -0.816 . . . . 0.0 110.237 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.6 160.27 26.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.395 -0.816 . . . . 0.0 110.248 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.25 -30.33 27.21 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.357 -0.84 . . . . 0.0 110.485 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.15 -52.29 56.02 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.304 -0.873 . . . . 0.0 110.065 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.769 ' O ' HG23 ' A' ' 108' ' ' VAL . 16.7 mt-10 -63.47 -28.82 70.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 0.0 110.052 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.809 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -71.04 -42.32 69.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.342 -0.849 . . . . 0.0 110.17 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -39.38 93.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 0.0 110.181 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.65 -37.08 85.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.349 -0.845 . . . . 0.0 110.203 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 104' ' ' GLU . 75.2 t -68.64 -44.97 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.355 -0.841 . . . . 0.0 110.078 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -30.75 70.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.315 -0.865 . . . . 0.0 110.172 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -79.58 -29.68 41.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.327 -0.858 . . . . 0.0 110.16 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -75.82 -38.48 58.08 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.354 -0.842 . . . . 0.0 110.212 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.13 -25.23 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.392 -0.817 . . . . 0.0 110.137 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.58 28.54 47.09 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.26 150.2 46.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.388 -1.066 . . . . 0.0 110.184 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.36 64.33 6.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.325 -0.859 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.65 HD11 HD22 ' A' ' 144' ' ' LEU . 39.1 mt -123.22 132.67 54.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.332 -0.855 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 42.1 p -81.97 179.21 7.9 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.434 -0.791 . . . . 0.0 110.223 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -27.43 64.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.353 -0.842 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.77 77.76 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.373 -0.83 . . . . 0.0 110.177 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.61 -49.3 60.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.382 -0.824 . . . . 0.0 110.126 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.31 -31.03 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.359 -0.838 . . . . 0.0 110.129 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.31 -44.17 75.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.389 -0.819 . . . . 0.0 110.124 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -71.99 -35.16 69.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.415 -0.803 . . . . 0.0 110.116 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.1 ttp -72.52 -28.36 62.81 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.38 -0.825 . . . . 0.0 110.155 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.7 mt -73.72 -44.26 56.91 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.306 -0.871 . . . . 0.0 110.055 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -27.85 69.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.353 -0.842 . . . . 0.0 110.16 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.97 -24.86 40.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.332 -0.855 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.656 ' CG1' HG23 ' A' ' 135' ' ' ILE . 52.3 t -108.22 -63.27 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.292 -0.88 . . . . 0.0 110.189 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -157.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.381 -0.825 . . . . 0.0 110.281 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.0 t70 53.8 39.92 30.91 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.305 -0.872 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -134.44 -83.95 0.2 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.6 m -99.51 -41.88 7.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.302 -1.117 . . . . 0.0 110.241 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 158.92 -73.78 0.22 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -80.37 154.78 27.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.407 -1.055 . . . . 0.0 110.223 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.656 HG23 ' CG1' ' A' ' 128' ' ' VAL . 85.9 mt -104.26 146.31 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.447 -0.783 . . . . 0.0 110.243 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.34 132.43 34.95 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.36 -0.838 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.675 HG21 ' HB3' ' A' ' 89' ' ' PHE . 17.3 pt -69.27 -21.76 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -64.62 -42.23 95.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.292 -0.88 . . . . 0.0 110.152 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -70.26 -42.24 72.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 110.203 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.809 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -67.58 -45.66 74.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.3 -0.875 . . . . 0.0 110.03 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.92 -28.55 70.14 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.344 -0.848 . . . . 0.0 110.124 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.36 -29.19 53.22 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.338 -0.851 . . . . 0.0 110.161 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.43 -32.87 62.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.427 -0.796 . . . . 0.0 110.19 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.65 HD22 HD11 ' A' ' 116' ' ' LEU . 88.4 mt -79.79 -20.09 47.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.456 -0.777 . . . . 0.0 110.397 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.9 t -58.27 -48.77 79.41 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.209 -0.932 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.5 tttm . . . . . 0 N--CA 1.495 1.809 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.462 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.204 0.526 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -164.19 50.32 0.13 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.305 -0.872 . . . . 0.0 110.223 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 57.44 104.95 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.426 -0.796 . . . . 0.0 110.506 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.442 ' O ' HD11 ' A' ' 9' ' ' ILE . 10.2 mt -54.14 137.74 39.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.296 -0.877 . . . . 0.0 110.464 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.0 p -79.61 175.13 10.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.373 -0.829 . . . . 0.0 110.111 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -62.22 -38.27 88.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.372 -0.83 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -61.08 -51.38 69.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.403 -0.811 . . . . 0.0 110.067 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 14.3 mm100 -62.75 -46.1 89.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.414 -0.804 . . . . 0.0 110.136 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.442 HD11 ' O ' ' A' ' 4' ' ' LEU . 76.1 mt -63.63 -29.82 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.287 -0.883 . . . . 0.0 109.986 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.02 88.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.395 -0.816 . . . . 0.0 110.114 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.85 -48.56 78.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.419 -0.8 . . . . 0.0 110.212 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 26.7 m-85 -60.58 -40.97 93.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.397 -0.814 . . . . 0.0 110.191 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 15.0 ttmt -58.7 -37.24 75.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.309 -0.87 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.19 -55.27 19.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.372 -0.83 . . . . 0.0 110.084 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.452 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -64.92 -32.39 74.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.33 -0.856 . . . . 0.0 110.181 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.707 ' CE1' HG23 ' A' ' 27' ' ' ILE . 7.6 t80 -68.95 -51.29 41.22 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.368 -0.832 . . . . 0.0 110.187 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.54 67.32 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.415 -0.803 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 15' ' ' ALA . 12.4 mt -64.17 -25.38 68.05 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.454 -0.779 . . . . 0.0 110.428 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -116.5 32.17 6.29 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.221 -0.924 . . . . 0.0 110.44 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -117.97 -78.46 0.58 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.287 -0.883 . . . . 0.0 110.184 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? 50.45 39.73 21.45 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.298 -0.877 . . . . 0.0 110.777 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -110.49 -91.37 0.46 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.236 -0.915 . . . . 0.0 110.234 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -173.62 32.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.108 -0.995 . . . . 0.0 110.269 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -170.36 -73.1 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.307 -0.871 . . . . 0.0 110.243 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.54 63.57 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 m -141.27 141.25 33.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.34 -1.094 . . . . 0.0 110.197 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.707 HG23 ' CE1' ' A' ' 16' ' ' PHE . 45.0 pt -125.31 157.37 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.447 -0.783 . . . . 0.0 110.274 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 m -83.21 156.95 22.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -0.894 . . . . 0.0 110.172 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -60.63 -28.24 68.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.352 -0.842 . . . . 0.0 110.198 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.0 p -61.71 -29.14 69.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.438 -0.789 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.824 ' O ' HG23 ' A' ' 35' ' ' VAL . 19.6 mt-10 -94.72 -14.01 25.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.365 -0.834 . . . . 0.0 110.536 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 63' ' ' ILE . 54.0 tp -56.03 -44.55 78.87 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.234 -0.916 . . . . 0.0 110.455 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.685 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -61.46 -45.8 92.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.346 -0.846 . . . . 0.0 110.203 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.6 m -64.63 -36.17 83.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.378 -0.826 . . . . 0.0 110.019 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 31' ' ' GLU . 91.3 t -62.09 -39.42 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.38 -0.825 . . . . 0.0 109.908 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.3 mtt -69.76 -35.14 74.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.368 -0.832 . . . . 0.0 109.937 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -68.53 -40.31 80.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.426 -0.796 . . . . 0.0 110.214 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.5 m -68.22 -35.02 77.31 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.798 . . . . 0.0 110.163 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.521 HD13 ' HE1' ' A' ' 72' ' ' MET . 14.4 mt -65.04 -33.75 76.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.485 -0.76 . . . . 0.0 110.062 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.62 -9.94 2.9 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -78.78 178.99 7.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.247 -1.149 . . . . 0.0 110.106 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -167.9 58.27 0.4 Allowed Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.311 -0.868 . . . . 0.0 110.286 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.99 137.18 26.2 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 O-C-N 123.79 1.416 . . . . 0.0 110.368 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -60.5 171.04 1.19 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.352 -0.842 . . . . 0.0 110.15 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -29.61 67.6 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 110.216 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.89 85.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.418 -0.801 . . . . 0.0 110.04 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -65.34 -42.01 93.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.052 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.685 ' CG1' ' HB2' ' A' ' 33' ' ' ALA . 50.1 t -64.26 -37.17 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.411 -0.806 . . . . 0.0 109.98 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.09 -39.9 96.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.386 -0.821 . . . . 0.0 109.951 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -62.26 -50.63 70.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.371 -0.831 . . . . 0.0 110.05 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.64 -42.18 98.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.354 -0.841 . . . . 0.0 109.996 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.0 mtt -66.77 -41.9 86.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.372 -0.83 . . . . 0.0 110.061 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -60.72 -28.03 68.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.378 -0.826 . . . . 0.0 110.08 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -82.03 -27.92 32.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.344 -0.848 . . . . 0.0 109.888 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 57' ' ' VAL . 3.9 mt -84.24 -56.01 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.41 -0.806 . . . . 0.0 110.046 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -56.01 146.82 21.41 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.244 -0.91 . . . . 0.0 110.56 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 55' ' ' ILE . 89.7 t -141.98 -59.8 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.386 -0.821 . . . . 0.0 110.094 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -98.15 -42.93 7.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.445 -0.784 . . . . 0.0 110.18 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.3 -78.92 0.05 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -100.24 97.19 8.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.41 -1.053 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.406 ' CD2' HG23 ' A' ' 55' ' ' ILE . 5.3 t60 -98.21 114.05 26.17 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.384 -0.822 . . . . 0.0 110.228 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -84.15 121.95 28.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.314 -0.866 . . . . 0.0 109.904 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.413 ' CD1' HD22 ' A' ' 32' ' ' LEU . 79.8 mt -79.7 132.94 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.305 -0.872 . . . . 0.0 110.1 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -94.41 160.14 14.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.456 -0.777 . . . . 0.0 110.123 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.8 t80 -57.73 -27.89 63.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.262 -0.899 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -69.91 -51.73 30.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.364 -0.835 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.87 -35.35 79.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.383 -0.823 . . . . 0.0 110.058 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -64.41 -46.27 84.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.363 -0.836 . . . . 0.0 110.155 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.776 HD11 ' CE2' ' A' ' 65' ' ' PHE . 54.1 mt -60.67 -40.79 93.44 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.401 -0.812 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.47 -43.13 73.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.304 -0.872 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.31 -33.85 76.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.361 -0.837 . . . . 0.0 110.187 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.561 ' O ' HD12 ' A' ' 76' ' ' LEU . 77.8 mmm -71.68 -35.59 70.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.397 -0.814 . . . . 0.0 110.171 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 55.0 p -66.46 -37.06 84.3 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.329 -0.857 . . . . 0.0 110.115 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -69.93 -34.75 73.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.387 -0.821 . . . . 0.0 110.179 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -87.39 -28.97 21.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.345 -0.847 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 72' ' ' MET . 7.3 mt -61.91 -41.41 97.88 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.393 -0.817 . . . . 0.0 110.2 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 -166.33 1.39 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.339 -0.85 . . . . 0.0 110.14 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.6 m -151.02 42.78 0.78 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.366 -0.834 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -105.3 155.03 19.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.478 -0.764 . . . . 0.0 110.198 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.07 158.31 44.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.301 -0.874 . . . . 0.0 110.222 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -78.96 -14.73 59.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.502 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -56.58 -56.98 14.53 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.235 -0.916 . . . . 0.0 110.389 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.49 -30.36 68.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.378 -0.826 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -69.26 -41.18 77.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.824 . . . . 0.0 110.163 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.5 ' CD2' HD13 ' A' ' 112' ' ' ILE . 1.2 mt -67.54 -44.22 78.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.378 -0.826 . . . . 0.0 110.102 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.88 -27.15 68.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.437 -0.79 . . . . 0.0 110.217 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.696 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.6 OUTLIER -71.65 -43.15 66.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.369 -0.832 . . . . 0.0 110.186 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.68 -46.26 72.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.373 -0.829 . . . . 0.0 110.177 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.619 ' HB3' HD13 ' A' ' 137' ' ' ILE . 15.9 m-85 -63.1 -34.49 77.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.372 -0.83 . . . . 0.0 110.193 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -66.74 -38.94 87.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.346 -0.846 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 87' ' ' GLU . 59.7 t -65.97 -36.38 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.37 -0.831 . . . . 0.0 110.109 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -69.37 -30.28 68.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.337 -0.852 . . . . 0.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.6 141.75 40.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -106.74 -44.36 4.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.365 -0.834 . . . . 0.0 110.152 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -58.4 -41.36 84.73 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.343 -0.848 . . . . 0.0 110.19 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.82 -42.15 1.49 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.5 150.34 44.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.345 -1.091 . . . . 0.0 110.232 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.01 83.66 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 99' ' ' LEU . 14.1 mt -146.32 111.36 5.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.376 -1.073 . . . . 0.0 110.224 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.7 pt -139.11 160.3 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.304 -0.873 . . . . 0.0 110.225 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -79.74 160.17 26.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.229 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.58 -33.67 60.66 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.36 -0.838 . . . . 0.0 110.394 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.1 -53.25 58.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.258 -0.901 . . . . 0.0 110.115 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.737 ' O ' HG23 ' A' ' 108' ' ' VAL . 22.1 mt-10 -62.55 -28.83 70.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.361 -0.837 . . . . 0.0 109.971 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.67 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -70.25 -43.93 69.54 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.353 -0.842 . . . . 0.0 110.041 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -65.95 -40.51 91.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.359 -0.838 . . . . 0.0 110.081 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -62.27 -36.48 82.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.099 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 104' ' ' GLU . 92.9 t -71.77 -37.17 61.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.437 -0.789 . . . . 0.0 110.085 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 105' ' ' LEU . 4.3 mp -62.65 -35.21 78.88 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.362 -0.836 . . . . 0.0 110.257 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.0 m -75.0 -36.08 61.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -68.13 -40.75 82.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.364 -0.835 . . . . 0.0 110.125 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.562 HD11 HG12 ' A' ' 108' ' ' VAL . 63.8 mt -62.11 -26.18 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.317 -0.865 . . . . 0.0 110.136 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.33 30.92 26.49 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.65 130.16 39.02 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.362 -1.081 . . . . 0.0 110.156 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 64.25 4.68 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.384 -0.822 . . . . 0.0 110.264 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.4 mt -111.74 131.82 55.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.886 . . . . 0.0 110.25 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.8 p -73.14 -178.82 3.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.377 -0.827 . . . . 0.0 110.109 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.46 -33.34 54.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 0.0 110.133 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.37 83.72 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.308 -0.87 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.4 -52.09 63.06 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 110.121 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.401 HG12 HD12 ' A' ' 125' ' ' LEU . 89.4 t -61.23 -25.6 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.379 -0.825 . . . . 0.0 110.031 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.47 -49.22 23.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.344 -0.847 . . . . 0.0 110.03 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -69.07 -33.21 73.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.459 -0.776 . . . . 0.0 110.066 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.563 ' O ' HG23 ' A' ' 128' ' ' VAL . 2.7 ttp -75.63 -28.4 58.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.403 -0.811 . . . . 0.0 110.158 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.401 HD12 HG12 ' A' ' 121' ' ' VAL . 8.7 mt -72.57 -39.86 67.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.406 -0.809 . . . . 0.0 110.265 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -66.4 -33.01 74.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.368 -0.833 . . . . 0.0 110.237 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -80.0 -30.9 39.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.322 -0.862 . . . . 0.0 110.374 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 124' ' ' MET . 57.8 t -89.41 -35.65 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 110.152 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 t -75.02 64.51 1.34 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.2 -27.24 63.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.352 -0.843 . . . . 0.0 110.187 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -97.23 -114.29 3.18 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.66 -38.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -1.11 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -60.41 -100.71 0.01 OUTLIER Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -108.08 159.58 16.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.31 -1.111 . . . . 0.0 110.321 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.561 HG23 HG12 ' A' ' 128' ' ' VAL . 74.2 mt -101.41 155.29 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.358 -0.839 . . . . 0.0 110.158 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.02 122.56 35.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.436 -0.79 . . . . 0.0 110.095 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.619 HD13 ' HB3' ' A' ' 89' ' ' PHE . 8.7 pt -61.9 -20.48 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.362 -0.836 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -43.0 97.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.233 -0.917 . . . . 0.0 110.142 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -71.04 -43.71 67.3 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.318 -0.864 . . . . 0.0 110.04 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.67 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -67.27 -44.38 79.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.298 -0.876 . . . . 0.0 109.936 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.34 75.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.445 -0.785 . . . . 0.0 110.099 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.77 89.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.317 -0.864 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.502 HD13 ' CG ' ' A' ' 124' ' ' MET . 5.7 mt -68.03 -38.01 82.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.429 -0.795 . . . . 0.0 110.063 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.44 -25.17 45.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.437 -0.789 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t -60.19 90.59 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.338 -0.851 . . . . 0.0 110.231 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.21 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.142 0.496 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -68.94 -88.21 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.382 -0.824 . . . . 0.0 110.154 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 49.26 -169.28 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.118 -0.989 . . . . 0.0 110.656 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 1.1 mp -51.1 175.35 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.509 -0.745 . . . . 0.0 110.613 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p -91.35 166.34 12.95 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.433 -0.792 . . . . 0.0 109.774 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 11.3 mt-10 -58.77 -35.43 72.77 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.212 -0.93 . . . . 0.0 110.234 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.54 -55.72 21.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 109.759 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -62.54 -42.16 99.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 109.946 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.45 ' CG1' ' HB2' ' A' ' 4' ' ' LEU . 78.5 mt -68.94 -32.85 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.357 -0.84 . . . . 0.0 109.664 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -62.06 -36.75 82.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.459 -0.776 . . . . 0.0 109.741 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.59 -48.11 56.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.365 -0.834 . . . . 0.0 109.986 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.49 -41.12 96.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 0.0 109.924 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -59.99 -41.49 92.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.393 -0.817 . . . . 0.0 110.37 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.35 -55.43 33.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.346 -0.847 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -64.62 -30.66 71.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.308 -0.87 . . . . 0.0 110.204 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CE1' HG23 ' A' ' 27' ' ' ILE . 7.6 t80 -72.58 -38.14 67.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.354 -0.841 . . . . 0.0 110.225 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.18 -28.97 65.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.395 -0.816 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 15' ' ' ALA . 28.5 mt -61.76 -25.88 67.73 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.869 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -116.49 33.36 5.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.333 -0.854 . . . . 0.0 110.264 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -124.06 77.74 1.57 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.86 . . . . 0.0 110.42 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -132.09 62.8 1.63 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.365 -0.835 . . . . 0.0 109.89 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -157.52 -38.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.356 -0.84 . . . . 0.0 110.507 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.27 -77.9 0.59 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.242 -0.911 . . . . 0.0 110.393 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -167.99 -62.01 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.213 -0.93 . . . . 0.0 110.396 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.4 57.4 0.56 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.21 132.46 12.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.367 -1.079 . . . . 0.0 109.976 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.582 HG23 ' CE1' ' A' ' 16' ' ' PHE . 45.0 pt -116.93 159.57 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.346 -0.846 . . . . 0.0 110.305 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 m -88.56 160.09 17.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.428 -0.795 . . . . 0.0 110.213 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.15 -37.23 76.8 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.371 -0.831 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -55.57 -27.0 46.66 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.391 -0.818 . . . . 0.0 110.333 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.808 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.4 mt-10 -98.6 -16.28 19.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.351 -0.843 . . . . 0.0 110.315 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' A' ' 63' ' ' ILE . 44.2 tp -57.56 -51.54 69.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.317 -0.865 . . . . 0.0 110.357 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.13 74.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.345 -0.847 . . . . 0.0 110.106 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.2 m -69.09 -36.74 77.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.342 -0.849 . . . . 0.0 110.082 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 31' ' ' GLU . 79.6 t -62.89 -37.53 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 0.0 109.949 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.2 mtt -69.89 -37.68 76.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.419 -0.801 . . . . 0.0 109.914 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -62.9 -37.55 87.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.374 -0.829 . . . . 0.0 110.13 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -78.16 -32.06 50.0 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.366 -0.834 . . . . 0.0 110.091 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.99 -22.78 64.98 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.379 -0.826 . . . . 0.0 110.184 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.54 34.52 0.92 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.0 mt -125.92 175.79 7.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.324 -1.104 . . . . 0.0 110.323 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -168.18 62.65 0.56 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.464 -0.772 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.62 139.73 31.56 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.811 1.427 . . . . 0.0 110.49 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 m -62.58 169.14 3.2 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.396 -0.815 . . . . 0.0 110.027 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -28.18 65.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.336 -0.853 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.35 76.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.865 . . . . 0.0 110.044 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.02 -42.12 94.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.0 110.042 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.42 -39.23 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.389 -0.819 . . . . 0.0 109.966 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -61.27 -42.21 98.24 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.506 -0.746 . . . . 0.0 110.069 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.53 -49.33 78.21 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.444 -0.785 . . . . 0.0 110.207 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.545 HD21 ' OE1' ' A' ' 75' ' ' GLN . 7.4 mp -63.97 -44.94 91.2 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.263 -0.898 . . . . 0.0 110.132 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.8 mtt -64.51 -28.82 69.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 110.057 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -68.19 -41.98 80.62 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.085 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.72 -30.73 68.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.157 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.631 HD11 HD13 ' A' ' 71' ' ' LEU . 11.8 mt -88.3 -55.61 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.1 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.75 67.97 0.26 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.444 -0.785 . . . . 0.0 110.337 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.89 -69.93 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.377 -0.827 . . . . 0.0 109.915 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -85.22 -144.6 0.1 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.426 -0.796 . . . . 0.0 109.745 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.77 11.62 68.21 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -171.16 140.77 1.54 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.126 -1.22 . . . . 0.0 110.492 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.409 ' CD2' HG23 ' A' ' 55' ' ' ILE . 4.4 t60 -167.54 106.67 0.56 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.394 -0.817 . . . . 0.0 110.086 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -82.01 138.19 34.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.342 -0.849 . . . . 0.0 110.197 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.467 ' CD1' HD22 ' A' ' 32' ' ' LEU . 79.8 mt -90.18 121.2 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.37 -0.831 . . . . 0.0 110.129 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.86 160.2 18.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.392 -0.817 . . . . 0.0 110.02 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.6 t80 -56.06 -26.3 48.69 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.365 -0.835 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -71.66 -51.08 24.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.353 -0.842 . . . . 0.0 109.978 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.02 -35.6 80.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.386 -0.821 . . . . 0.0 110.017 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -62.12 -50.71 70.81 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.446 -0.784 . . . . 0.0 109.954 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 65' ' ' PHE . 55.4 mt -58.89 -37.09 75.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 110.054 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.81 -47.41 72.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.631 HD13 HD11 ' A' ' 55' ' ' ILE . 3.1 mt -61.88 -42.99 99.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.424 -0.798 . . . . 0.0 110.024 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.509 ' O ' HD12 ' A' ' 76' ' ' LEU . 91.4 mmm -64.06 -41.14 97.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.39 -0.819 . . . . 0.0 109.98 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.3 t -58.44 -38.0 76.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.372 -0.83 . . . . 0.0 110.195 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -67.12 -43.13 83.23 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.478 -0.764 . . . . 0.0 109.965 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.545 ' OE1' HD21 ' A' ' 51' ' ' LEU . 34.6 mt-30 -69.82 -41.16 75.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.356 -0.84 . . . . 0.0 109.992 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 72' ' ' MET . 11.0 mt -66.12 -26.98 67.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.417 -0.802 . . . . 0.0 110.129 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 155.03 20.89 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.833 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -167.79 102.45 0.48 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.4 -0.813 . . . . 0.0 110.137 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -143.42 140.14 30.28 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.372 -0.83 . . . . 0.0 110.249 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -162.24 84.34 0.57 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 0.0 110.267 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 m -72.99 -41.67 64.07 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.333 -0.854 . . . . 0.0 110.23 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.38 -56.33 17.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.398 -0.814 . . . . 0.0 110.164 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -27.09 61.81 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.414 -0.804 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.56 -45.38 75.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.304 -0.873 . . . . 0.0 110.077 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.457 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -64.38 -46.43 83.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.321 -0.862 . . . . 0.0 109.911 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.47 -31.11 71.65 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.37 -0.831 . . . . 0.0 110.094 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 91' ' ' VAL . 17.7 mm-40 -74.18 -42.88 59.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.383 -0.823 . . . . 0.0 110.095 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.28 99.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.349 -0.844 . . . . 0.0 110.063 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.615 ' HB3' HD13 ' A' ' 137' ' ' ILE . 12.4 m-85 -66.98 -37.47 84.3 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.365 -0.835 . . . . 0.0 110.045 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -65.31 -37.26 86.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.377 -0.827 . . . . 0.0 110.194 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 87' ' ' GLU . 79.5 t -65.0 -45.55 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.042 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.477 ' CE2' HG22 ' A' ' 108' ' ' VAL . 8.5 m-85 -60.84 -25.2 66.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.365 -0.834 . . . . 0.0 110.226 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.65 171.84 1.43 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.368 -0.833 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 -69.88 0.74 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.876 . . . . 0.0 110.218 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -84.17 -61.74 1.74 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.308 -0.87 . . . . 0.0 110.223 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.25 45.21 0.02 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.87 -31.34 6.14 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.335 -1.097 . . . . 0.0 110.137 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.66 64.5 0.56 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.6 mt -146.26 104.58 3.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -1.118 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.413 HD11 HD12 ' A' ' 105' ' ' LEU . 44.8 pt -129.42 159.02 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.373 -0.829 . . . . 0.0 110.23 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -79.93 160.18 26.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.382 -0.824 . . . . 0.0 110.194 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.03 -34.41 59.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.358 -0.838 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.13 87.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.047 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.75 ' O ' HG23 ' A' ' 108' ' ' VAL . 18.7 mt-10 -69.31 -31.06 69.29 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.342 -0.849 . . . . 0.0 109.904 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.607 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.7 OUTLIER -71.64 -37.38 70.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.387 -0.821 . . . . 0.0 110.072 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -70.04 -39.06 75.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.413 -0.804 . . . . 0.0 110.23 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -67.03 -35.49 80.0 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 0.0 110.24 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 104' ' ' GLU . 89.8 t -70.79 -40.11 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.315 -0.866 . . . . 0.0 110.131 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.82 -31.37 72.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.291 -0.881 . . . . 0.0 110.177 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.7 m -79.56 -35.92 39.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.382 -0.824 . . . . 0.0 110.268 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.68 -40.24 84.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.382 -0.824 . . . . 0.0 110.168 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.478 HD11 HG12 ' A' ' 108' ' ' VAL . 55.4 mt -61.68 -28.58 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.311 -0.868 . . . . 0.0 110.147 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.9 37.56 25.53 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -12.08 61.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.426 -1.044 . . . . 0.0 110.458 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.07 46.25 22.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.224 -0.922 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.796 HD11 HD22 ' A' ' 144' ' ' LEU . 13.8 mt -97.52 127.77 43.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.479 -0.763 . . . . 0.0 110.064 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.7 p -60.91 157.93 14.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -0.854 . . . . 0.0 110.187 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.97 -27.88 68.59 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.301 -0.874 . . . . 0.0 110.18 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.99 -29.83 69.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.469 -0.77 . . . . 0.0 110.175 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.36 -51.42 20.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.356 -0.84 . . . . 0.0 110.093 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.78 -28.85 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.453 -0.779 . . . . 0.0 109.879 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.42 -40.07 77.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.46 -0.775 . . . . 0.0 110.037 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -73.4 -29.12 62.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.387 -0.82 . . . . 0.0 110.088 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.544 ' O ' HG23 ' A' ' 128' ' ' VAL . 3.8 mtm -78.04 -38.77 43.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.426 -0.796 . . . . 0.0 110.1 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.523 HD21 HD22 ' A' ' 105' ' ' LEU . 20.4 mt -66.08 -41.4 90.75 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.368 -0.833 . . . . 0.0 110.124 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -32.9 67.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.487 -0.758 . . . . 0.0 110.162 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -79.51 -38.14 35.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 0.0 110.182 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 124' ' ' MET . 67.0 t -81.08 -55.45 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.4 -0.813 . . . . 0.0 110.033 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 t -66.26 147.71 52.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.358 -0.839 . . . . 0.0 110.186 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -132.77 31.18 3.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.339 -0.851 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.47 46.23 5.57 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.7 t -121.7 -51.46 2.04 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.382 -1.07 . . . . 0.0 110.209 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 128.19 -41.47 1.57 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -104.86 153.81 20.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.386 -1.067 . . . . 0.0 110.176 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.543 HG23 HG12 ' A' ' 128' ' ' VAL . 88.8 mt -133.33 141.92 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.838 . . . . 0.0 110.167 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -80.59 142.2 34.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.447 -0.783 . . . . 0.0 110.166 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.615 HD13 ' HB3' ' A' ' 89' ' ' PHE . 5.9 pt -79.7 -16.56 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.352 -0.842 . . . . 0.0 110.575 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -59.7 -50.0 75.56 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.215 -0.928 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -70.7 -36.94 73.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.194 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.607 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -71.33 -43.15 67.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.401 -0.812 . . . . 0.0 110.033 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.54 70.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.361 -0.837 . . . . 0.0 110.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.86 -33.45 59.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.836 . . . . 0.0 110.127 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.485 HD13 ' SD ' ' A' ' 124' ' ' MET . 8.3 mt -68.62 -38.32 80.45 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.455 -0.778 . . . . 0.0 110.091 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 116' ' ' LEU . 84.4 mt -79.12 -63.53 1.4 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.459 -0.776 . . . . 0.0 110.143 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.5 t 52.31 44.97 29.28 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.356 -0.84 . . . . 0.0 110.524 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.253 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.154 0.502 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.12 -178.59 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.348 -0.845 . . . . 0.0 110.417 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -126.99 165.8 18.76 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.396 -0.815 . . . . 0.0 110.149 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.576 HD22 ' HE2' ' A' ' 12' ' ' PHE . 33.2 mt -65.94 133.68 51.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.318 -0.864 . . . . 0.0 110.312 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.557 ' O ' HD12 ' A' ' 9' ' ' ILE . 12.1 p -86.57 172.85 9.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.467 -0.771 . . . . 0.0 109.976 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.71 -35.71 73.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.272 -0.893 . . . . 0.0 110.235 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -67.63 -40.95 84.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 0.0 109.959 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 29.0 mm-40 -68.48 -44.85 73.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.437 -0.789 . . . . 0.0 110.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 5' ' ' THR . 12.4 mt -64.13 -28.56 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.357 -0.839 . . . . 0.0 110.008 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -42.12 70.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.393 -0.817 . . . . 0.0 110.022 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -61.67 -48.73 79.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.431 -0.793 . . . . 0.0 110.162 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.678 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 26.3 m-85 -60.15 -39.33 85.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.383 -0.823 . . . . 0.0 110.164 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.18 -39.18 81.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.305 -0.872 . . . . 0.0 110.181 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.65 -53.73 46.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.36 -0.837 . . . . 0.0 110.11 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.28 -35.91 81.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.0 110.081 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -66.68 -43.55 84.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.399 -0.813 . . . . 0.0 109.97 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.88 66.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.403 -0.811 . . . . 0.0 110.028 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 15' ' ' ALA . 16.0 mt -66.02 -14.47 61.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.28 -0.888 . . . . 0.0 110.321 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.74 ' O ' HG22 ' A' ' 27' ' ' ILE . 89.7 m-85 -130.79 36.87 3.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.201 -0.937 . . . . 0.0 110.594 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' C ' ' OD1' ' A' ' 20' ' ' ASP . 6.1 p30 -101.87 26.3 7.66 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.189 -0.945 . . . . 0.0 110.402 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -21.88 52.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 110.23 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.58 -27.51 66.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.379 -0.826 . . . . 0.0 110.375 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -155.09 -78.08 0.1 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -168.36 -58.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.218 -0.926 . . . . 0.0 110.085 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.4 35.05 2.9 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -151.31 144.5 24.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.318 -1.107 . . . . 0.0 110.213 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.74 HG22 ' O ' ' A' ' 19' ' ' PHE . 45.1 pt -121.24 156.09 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 110.169 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.5 m -84.41 159.96 20.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.348 -0.845 . . . . 0.0 110.258 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -60.28 -25.77 65.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.408 -0.808 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.6 m -66.24 -40.54 90.3 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.846 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.1 mt-10 -82.34 -13.63 56.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.414 -0.804 . . . . 0.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 63' ' ' ILE . 36.9 tp -57.94 -50.14 74.39 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.181 -0.949 . . . . 0.0 110.385 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.15 74.15 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.388 -0.82 . . . . 0.0 110.344 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 m -67.66 -35.81 79.56 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.334 -0.854 . . . . 0.0 110.039 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 31' ' ' GLU . 72.0 t -62.55 -41.07 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.9 mtt -66.59 -39.02 88.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.401 -0.812 . . . . 0.0 110.017 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -62.76 -31.74 72.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.338 -0.851 . . . . 0.0 110.058 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -35.17 56.97 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.394 -0.816 . . . . 0.0 110.143 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.16 -21.02 64.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.321 -0.862 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.26 35.83 0.91 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.8 mt -123.3 174.11 7.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.388 -1.066 . . . . 0.0 110.197 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -167.2 64.77 0.75 Allowed Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.382 -0.823 . . . . 0.0 110.074 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.28 136.96 25.13 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.797 1.42 . . . . 0.0 110.498 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.631 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.4 m -65.95 179.27 0.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.426 -0.796 . . . . 0.0 110.06 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.3 -28.5 70.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.259 -0.901 . . . . 0.0 109.945 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.05 -43.27 75.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.403 -0.811 . . . . 0.0 110.108 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.96 -34.25 73.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.388 -0.82 . . . . 0.0 109.883 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 44' ' ' SER . 57.4 t -70.53 -38.23 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.486 -0.759 . . . . 0.0 109.835 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -64.03 -40.98 97.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.408 -0.808 . . . . 0.0 109.832 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.93 -49.57 75.63 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.478 -0.764 . . . . 0.0 110.024 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.564 HD21 ' OE1' ' A' ' 75' ' ' GLN . 5.4 mp -61.58 -43.47 98.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.34 -0.85 . . . . 0.0 109.871 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.9 mtt -68.06 -29.18 68.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.465 -0.772 . . . . 0.0 109.869 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -65.59 -37.75 87.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.402 -0.811 . . . . 0.0 109.963 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -73.05 -39.64 65.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.383 -0.823 . . . . 0.0 109.922 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 57' ' ' VAL . 14.2 mt -75.59 -62.99 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.487 -0.758 . . . . 0.0 109.852 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.6 102.4 0.33 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.385 -0.822 . . . . 0.0 110.15 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 55' ' ' ILE . 63.4 t -91.83 -58.67 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.335 -0.853 . . . . 0.0 110.133 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -103.15 26.59 8.07 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.393 -0.817 . . . . 0.0 110.294 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.85 -31.89 7.42 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -123.65 136.28 54.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.292 -1.122 . . . . 0.0 110.312 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.401 ' CD2' HG23 ' A' ' 55' ' ' ILE . 4.5 t60 -167.92 116.79 0.77 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.452 -0.78 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -85.32 123.38 30.73 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.376 -0.828 . . . . 0.0 109.861 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.709 ' CD1' HD22 ' A' ' 32' ' ' LEU . 72.4 mt -79.94 112.27 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.281 -0.887 . . . . 0.0 110.307 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.87 160.19 20.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.426 -0.796 . . . . 0.0 109.862 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.3 t80 -53.7 -27.85 30.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.313 -0.867 . . . . 0.0 110.488 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.9 p -71.71 -51.69 21.64 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.336 -0.853 . . . . 0.0 110.02 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.12 -34.16 77.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.438 -0.789 . . . . 0.0 110.056 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.48 -48.45 72.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.337 -0.852 . . . . 0.0 110.217 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.732 HD11 ' CE2' ' A' ' 65' ' ' PHE . 43.8 mt -60.46 -35.64 76.33 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.305 -0.872 . . . . 0.0 110.112 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.97 -48.95 56.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.352 -0.843 . . . . 0.0 110.107 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.473 HD13 HD11 ' A' ' 55' ' ' ILE . 30.5 mt -62.98 -36.33 83.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.394 -0.817 . . . . 0.0 109.997 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.728 ' O ' HD12 ' A' ' 76' ' ' LEU . 81.1 mmm -65.43 -42.37 92.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.493 -0.754 . . . . 0.0 110.093 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -61.99 -37.14 83.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.344 -0.848 . . . . 0.0 110.176 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -70.14 -29.8 66.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.462 -0.773 . . . . 0.0 110.12 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.564 ' OE1' HD21 ' A' ' 51' ' ' LEU . 36.1 mt-30 -91.14 -30.13 16.88 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.436 -0.79 . . . . 0.0 110.217 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -77.52 -25.99 50.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.359 -0.838 . . . . 0.0 110.282 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -65.41 170.49 4.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.214 -0.929 . . . . 0.0 110.173 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 t -126.34 143.4 51.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.317 -0.864 . . . . 0.0 110.322 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -109.93 -166.82 1.13 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.323 -0.861 . . . . 0.0 110.183 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.89 130.38 35.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.323 -0.86 . . . . 0.0 110.103 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.4 p -73.1 -26.4 61.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.382 -0.824 . . . . 0.0 110.217 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -55.96 -31.2 62.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.258 -0.901 . . . . 0.0 110.278 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.61 -46.28 90.87 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.298 -0.877 . . . . 0.0 110.114 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.26 -50.02 71.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 109.994 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -32.85 73.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.405 -0.81 . . . . 0.0 110.062 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.99 -38.45 82.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.337 -0.852 . . . . 0.0 110.005 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 91' ' ' VAL . 29.6 mt-10 -63.27 -45.72 90.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.347 -0.846 . . . . 0.0 110.06 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.26 90.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.355 -0.841 . . . . 0.0 110.116 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.66 ' HB3' HD13 ' A' ' 137' ' ' ILE . 7.6 m-85 -63.58 -38.3 90.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.841 . . . . 0.0 110.167 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -33.46 73.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.307 -0.87 . . . . 0.0 110.154 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 87' ' ' GLU . 66.8 t -70.96 -42.18 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.289 -0.882 . . . . 0.0 110.024 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CD2' HG22 ' A' ' 108' ' ' VAL . 8.7 m-85 -65.48 -27.34 68.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.311 -0.868 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.43 176.53 6.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.338 -0.851 . . . . 0.0 110.232 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -89.52 -72.22 0.57 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.336 -0.852 . . . . 0.0 110.244 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -99.54 -73.04 0.64 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.352 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.82 36.85 0.12 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -81.49 -44.12 17.85 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -1.041 . . . . 0.0 110.24 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.58 37.73 8.59 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.3 mt -129.04 102.84 6.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.348 -1.09 . . . . 0.0 110.189 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.6 pt -125.83 160.15 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.372 -0.83 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -79.86 160.4 26.09 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.423 -0.798 . . . . 0.0 110.195 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.48 -28.77 21.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.35 -0.844 . . . . 0.0 110.488 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.79 -53.02 45.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.349 -0.844 . . . . 0.0 110.033 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.807 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.9 mt-10 -62.43 -29.4 70.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.41 -0.806 . . . . 0.0 109.918 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.804 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -69.27 -44.54 71.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.398 -0.814 . . . . 0.0 110.112 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -41.51 98.55 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.4 -0.813 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -63.46 -38.35 90.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -0.814 . . . . 0.0 110.161 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 104' ' ' GLU . 85.6 t -65.43 -44.35 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.36 -0.837 . . . . 0.0 110.028 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 mp -62.25 -29.8 70.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.062 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.7 m -74.51 -43.37 56.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.364 -0.835 . . . . 0.0 110.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -42.96 99.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.347 -0.846 . . . . 0.0 110.122 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.05 -23.08 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.424 -0.798 . . . . 0.0 110.145 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.2 23.36 44.8 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.36 105.08 6.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.32 -1.106 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -73.24 63.85 0.75 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.323 -0.86 . . . . 0.0 110.148 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 120' ' ' GLU . 6.2 mt -89.68 149.7 22.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.893 . . . . 0.0 110.173 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.0 p -87.89 159.16 18.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.323 -0.861 . . . . 0.0 110.18 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.53 -25.26 64.36 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.356 -0.84 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.19 -34.98 77.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.361 -0.837 . . . . 0.0 110.147 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HB3' HD22 ' A' ' 116' ' ' LEU . 16.4 mm-40 -69.76 -52.98 20.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.331 -0.855 . . . . 0.0 110.086 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.74 -25.55 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.383 -0.823 . . . . 0.0 110.026 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.99 -44.32 48.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.376 -0.827 . . . . 0.0 110.067 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -26.64 61.64 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.06 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.586 ' HE1' HD21 ' A' ' 144' ' ' LEU . 3.9 mtp -79.71 -36.14 37.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.317 -0.864 . . . . 0.0 110.236 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.25 -40.51 77.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.391 -0.818 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -65.92 -36.78 84.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 110.281 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -80.09 -30.19 39.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.323 -0.861 . . . . 0.0 110.528 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 124' ' ' MET . 57.5 t -92.45 -59.16 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.312 -0.868 . . . . 0.0 110.348 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 t -57.91 115.04 2.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.345 -0.847 . . . . 0.0 110.38 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -167.89 32.73 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.457 -0.777 . . . . 0.0 110.194 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -125.85 -98.97 1.14 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.6 t -120.48 -72.07 0.71 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -1.069 . . . . 0.0 110.176 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.77 29.41 0.55 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -137.82 158.9 43.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.427 -1.043 . . . . 0.0 110.273 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.457 HG23 HG12 ' A' ' 128' ' ' VAL . 83.0 mt -133.54 149.14 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.408 -0.807 . . . . 0.0 110.133 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -88.6 125.47 34.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.316 -0.865 . . . . 0.0 110.223 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.66 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.5 pt -67.26 -19.0 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.425 -0.797 . . . . 0.0 110.379 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -68.1 -51.08 50.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.222 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -62.72 -36.28 82.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.326 -0.859 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.804 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -70.92 -41.74 70.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.843 . . . . 0.0 110.117 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.46 74.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.4 -0.812 . . . . 0.0 110.152 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.44 -27.65 41.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.334 -0.854 . . . . 0.0 110.173 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.9 mt -71.29 -36.26 71.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.369 -0.832 . . . . 0.0 110.124 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.586 HD21 ' HE1' ' A' ' 124' ' ' MET . 92.7 mt -77.51 -27.23 51.7 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.448 -0.782 . . . . 0.0 110.182 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 64.2 m -61.99 -169.23 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.342 -0.849 . . . . 0.0 110.197 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 2.5 tttt . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.248 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.153 0.502 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.26 29.54 4.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.399 -0.813 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -138.46 128.45 25.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.836 . . . . 0.0 110.228 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.581 HD22 ' HE2' ' A' ' 12' ' ' PHE . 35.4 mt -72.26 127.83 33.78 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.36 -0.837 . . . . 0.0 110.207 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -80.57 175.61 10.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 110.056 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -62.51 -36.91 84.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.846 . . . . 0.0 110.192 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.93 -41.9 86.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.264 -0.897 . . . . 0.0 110.071 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 14.4 mm-40 -68.67 -43.68 75.64 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.425 -0.797 . . . . 0.0 110.062 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.5 mt -66.72 -32.57 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.34 -34.64 72.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.37 -0.831 . . . . 0.0 110.128 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -67.35 -45.57 75.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.096 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.581 ' HE2' HD22 ' A' ' 4' ' ' LEU . 23.9 m-85 -63.17 -41.4 99.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 109.995 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 7.5 ttmt -59.26 -38.89 81.2 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.407 -0.808 . . . . 0.0 110.207 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.08 -53.66 46.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.328 -0.858 . . . . 0.0 110.097 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.46 -34.87 78.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.38 -0.825 . . . . 0.0 110.242 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -69.31 -40.46 77.63 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.337 -0.852 . . . . 0.0 110.149 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.01 73.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.446 -0.784 . . . . 0.0 110.145 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.71 -39.74 94.98 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 110.102 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -101.78 25.04 9.03 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.409 -0.807 . . . . 0.0 110.152 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -95.49 75.81 3.31 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.409 -0.807 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 -17.11 12.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.432 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -54.82 -71.02 0.09 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.238 -0.914 . . . . 0.0 110.587 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -126.64 -76.38 0.58 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.246 -0.909 . . . . 0.0 110.463 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -152.58 -43.03 0.1 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 0.0 110.412 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.54 54.38 0.69 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -159.88 139.64 11.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.287 -1.125 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -125.16 158.84 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.86 . . . . 0.0 110.158 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.9 m -80.84 158.52 25.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 110.18 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -62.27 -27.18 68.84 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.386 -0.821 . . . . 0.0 110.317 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -64.34 -41.82 96.58 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.323 -0.86 . . . . 0.0 110.16 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.823 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.7 mt-10 -78.49 -15.65 58.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.289 -0.882 . . . . 0.0 110.472 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.6 tp -54.18 -55.15 30.72 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.257 -0.902 . . . . 0.0 110.55 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.55 79.38 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.273 -0.892 . . . . 0.0 110.204 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.1 m -63.56 -39.64 94.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.381 -0.824 . . . . 0.0 110.014 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 31' ' ' GLU . 84.7 t -62.2 -43.87 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.431 -0.793 . . . . 0.0 109.968 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.3 mtt -62.77 -31.43 72.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.497 -0.752 . . . . 0.0 109.948 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -69.57 -38.62 77.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.427 -0.796 . . . . 0.0 110.242 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -34.09 62.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.35 -0.844 . . . . 0.0 110.294 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.1 mt -60.97 -25.06 66.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.317 -0.864 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.95 33.23 1.56 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.451 HD11 HD21 ' A' ' 76' ' ' LEU . 47.2 mt -123.3 -177.24 3.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.407 -1.055 . . . . 0.0 110.033 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t -168.05 68.45 0.81 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.41 -0.807 . . . . 0.0 110.22 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.64 137.29 24.78 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.749 1.394 . . . . 0.0 110.264 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.8 167.06 2.97 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.267 -0.895 . . . . 0.0 110.144 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -27.72 63.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 110.117 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.43 66.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.436 -0.79 . . . . 0.0 109.912 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.69 -37.32 86.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.357 -0.84 . . . . 0.0 109.997 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.05 -44.4 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.387 -0.82 . . . . 0.0 109.914 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -32.13 72.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.315 -0.865 . . . . 0.0 110.03 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -67.68 -50.62 56.82 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.38 -0.825 . . . . 0.0 109.933 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.84 -40.28 96.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.398 -0.814 . . . . 0.0 109.885 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mtt -66.81 -35.39 79.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.401 -0.812 . . . . 0.0 110.026 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -62.65 -40.81 98.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.39 -0.819 . . . . 0.0 109.92 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.6 -36.75 83.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.443 -0.786 . . . . 0.0 109.832 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.8 mt -80.14 -58.83 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.454 -0.779 . . . . 0.0 109.992 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.68 95.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.397 -0.814 . . . . 0.0 110.376 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 55' ' ' ILE . 95.1 t -103.6 -64.4 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.415 -0.803 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -88.17 -32.13 18.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.433 -0.792 . . . . 0.0 110.244 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.33 -78.05 0.19 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.26 44.48 1.18 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.28 -1.129 . . . . 0.0 110.998 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.401 ' CD2' HG23 ' A' ' 55' ' ' ILE . 4.3 t60 -63.81 110.36 2.04 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.222 -0.923 . . . . 0.0 110.231 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -80.33 142.56 34.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 110.02 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.42 ' CD1' HD13 ' A' ' 55' ' ' ILE . 82.7 mt -95.75 111.1 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.36 -0.838 . . . . 0.0 110.335 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.29 160.15 24.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.481 -0.762 . . . . 0.0 109.924 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.529 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.6 t80 -56.79 -28.68 61.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.27 -0.894 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -52.63 26.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.427 -0.796 . . . . 0.0 110.041 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' O ' HD12 ' A' ' 71' ' ' LEU . 7.6 mm-40 -65.78 -35.14 79.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.382 -0.824 . . . . 0.0 109.98 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.47 -51.72 67.52 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.393 -0.817 . . . . 0.0 109.935 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 65' ' ' PHE . 52.1 mt -56.76 -41.11 77.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.842 . . . . 0.0 110.075 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.31 -49.18 58.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.442 -0.786 . . . . 0.0 109.911 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.57 HD13 HD11 ' A' ' 55' ' ' ILE . 6.5 mt -62.39 -33.91 75.69 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.438 -0.789 . . . . 0.0 110.029 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.558 ' O ' HD12 ' A' ' 76' ' ' LEU . 76.3 mmm -70.56 -44.03 68.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.428 -0.795 . . . . 0.0 110.039 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -60.23 -30.79 69.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 110.006 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -79.97 -30.18 39.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.401 -0.812 . . . . 0.0 110.11 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -89.25 -27.56 20.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.315 -0.866 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 72' ' ' MET . 5.7 mt -89.25 60.77 5.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.34 -0.85 . . . . 0.0 110.17 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 167.69 20.79 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.301 -0.875 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.3 m -71.94 65.16 0.53 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.369 -0.832 . . . . 0.0 110.207 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.408 ' HA ' ' CB ' ' A' ' 83' ' ' GLN . 42.2 p-10 -118.85 81.7 1.74 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.389 -0.819 . . . . 0.0 110.276 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.6 -164.92 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.293 -0.879 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 p -61.23 -27.05 68.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.4 -0.812 . . . . 0.0 110.27 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.32 -55.09 8.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.372 -0.83 . . . . 0.0 110.231 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.408 ' CB ' ' HA ' ' A' ' 79' ' ' ASN . 8.7 mm-40 -57.11 -37.54 72.1 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.389 -0.819 . . . . 0.0 110.22 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.39 -45.0 95.12 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.328 -0.858 . . . . 0.0 109.978 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 144' ' ' LEU . 0.6 OUTLIER -62.52 -42.36 99.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 109.917 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.85 -35.84 77.61 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.83 . . . . 0.0 109.874 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -50.79 70.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.368 -0.833 . . . . 0.0 109.908 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.42 94.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 110.011 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.731 ' HB3' HG21 ' A' ' 137' ' ' ILE . 10.1 m-85 -61.45 -33.46 73.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.418 -0.801 . . . . 0.0 110.064 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -43.24 90.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.423 -0.798 . . . . 0.0 110.076 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.09 -38.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.348 -0.845 . . . . 0.0 109.965 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.439 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 7.0 m-85 -68.28 -26.93 65.9 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.403 -0.811 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -78.31 152.33 32.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.905 . . . . 0.0 110.16 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.17 -52.94 3.03 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.375 -0.828 . . . . 0.0 110.217 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -64.13 -35.58 81.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.873 . . . . 0.0 110.144 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.5 48.6 3.43 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.91 20.32 6.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -1.054 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.23 47.95 88.3 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 99' ' ' LEU . 20.0 mt -141.76 110.69 6.22 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -1.129 . . . . 0.0 110.247 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.429 HD11 HD12 ' A' ' 105' ' ' LEU . 35.9 pt -132.39 160.14 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.387 -0.821 . . . . 0.0 110.191 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -79.81 160.32 26.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.395 -0.815 . . . . 0.0 110.315 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.39 -34.53 48.42 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.376 -0.827 . . . . 0.0 110.437 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.15 -53.01 61.44 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.412 -0.805 . . . . 0.0 110.061 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 108' ' ' VAL . 53.2 mt-10 -62.36 -32.65 73.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.33 -0.856 . . . . 0.0 109.974 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.728 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -69.05 -43.41 74.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.419 -0.801 . . . . 0.0 110.164 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -61.27 -38.35 86.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.319 -0.863 . . . . 0.0 110.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -68.89 -33.07 73.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 110.052 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 104' ' ' GLU . 79.8 t -72.53 -44.56 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.389 -0.819 . . . . 0.0 109.942 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.66 -33.64 74.31 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.414 -0.804 . . . . 0.0 110.155 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.0 m -79.57 -30.09 41.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.301 -0.875 . . . . 0.0 110.2 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -73.59 -40.84 63.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.341 -0.849 . . . . 0.0 110.181 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 80.2 mt -62.49 -26.27 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.344 -0.848 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.38 29.15 31.09 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.74 142.73 54.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.403 -1.057 . . . . 0.0 110.106 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -80.2 62.88 4.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -0.865 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.2 mt -124.96 131.23 53.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 0.0 110.236 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.2 p -84.26 -166.97 1.59 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.394 -0.816 . . . . 0.0 110.203 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.4 -33.69 42.46 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.361 -0.837 . . . . 0.0 110.122 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.47 98.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.388 -0.82 . . . . 0.0 110.108 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.48 -51.42 67.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.4 HG12 HD12 ' A' ' 125' ' ' LEU . 64.6 t -60.34 -26.85 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.41 -0.806 . . . . 0.0 110.104 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.5 -47.14 67.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 110.077 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -68.22 -32.51 72.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.355 -0.841 . . . . 0.0 110.15 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 128' ' ' VAL . 6.4 mtp -77.01 -28.62 55.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.379 -0.826 . . . . 0.0 110.169 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.4 HD12 HG12 ' A' ' 121' ' ' VAL . 5.3 mt -70.19 -45.19 67.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -68.04 -30.69 69.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.338 -0.851 . . . . 0.0 110.308 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -80.07 -27.34 39.35 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.326 -0.859 . . . . 0.0 110.236 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.627 HG12 HG23 ' A' ' 135' ' ' ILE . 65.5 t -95.98 -37.64 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.264 -0.898 . . . . 0.0 110.237 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.5 t -61.08 114.77 3.29 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.396 -0.815 . . . . 0.0 110.204 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -100.33 -44.94 5.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.348 -0.845 . . . . 0.0 110.335 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 132' ' ' SER . . . -117.86 9.96 14.05 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 131' ' ' GLY . 1.3 t 68.76 -3.42 1.43 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.353 -1.086 . . . . 0.0 111.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -88.36 -112.16 1.13 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -85.67 153.17 22.54 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.419 -1.048 . . . . 0.0 110.312 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.627 HG23 HG12 ' A' ' 128' ' ' VAL . 86.1 mt -116.18 148.43 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.427 -0.795 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -88.26 118.96 28.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.336 -0.853 . . . . 0.0 110.193 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.731 HG21 ' HB3' ' A' ' 89' ' ' PHE . 24.2 pt -61.63 -18.92 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.432 -0.793 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -56.49 21.14 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.206 -0.934 . . . . 0.0 110.341 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -63.61 -40.95 98.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.306 -0.872 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.728 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.91 -36.73 84.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.277 -0.889 . . . . 0.0 110.132 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -70.43 -27.62 64.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 110.223 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.69 -38.5 64.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.316 -0.865 . . . . 0.0 110.179 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.08 -34.79 68.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.335 -0.853 . . . . 0.0 110.219 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 85' ' ' LEU . 91.9 mt -79.98 -10.28 59.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.85 . . . . 0.0 110.598 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.6 t -58.18 -65.64 0.61 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.184 -0.948 . . . . 0.0 110.299 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.226 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.269 0.557 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 p -162.32 178.04 9.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.339 -0.851 . . . . 0.0 110.137 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.0 t30 56.43 172.09 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.371 -0.83 . . . . 0.0 110.382 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.556 HD22 ' HE2' ' A' ' 12' ' ' PHE . 11.6 mt -59.72 154.92 16.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.296 -0.877 . . . . 0.0 110.323 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 9' ' ' ILE . 18.4 p -95.95 172.45 8.0 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.363 -0.836 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.47 -39.96 85.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.386 -0.821 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.84 -46.42 81.98 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.41 -0.806 . . . . 0.0 110.015 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.403 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 93.6 mt-30 -67.12 -41.49 86.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.327 -0.858 . . . . 0.0 110.072 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 5' ' ' THR . 40.3 mt -67.03 -32.88 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.397 -0.815 . . . . 0.0 109.914 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.58 73.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.39 -0.819 . . . . 0.0 109.935 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.0 -50.96 52.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.394 -0.816 . . . . 0.0 110.092 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' HE2' HD22 ' A' ' 4' ' ' LEU . 25.1 m-85 -60.48 -38.76 85.27 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.391 -0.818 . . . . 0.0 109.986 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -60.5 -39.83 89.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.389 -0.82 . . . . 0.0 110.039 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -61.89 -50.08 73.64 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.405 -0.809 . . . . 0.0 109.972 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -70.14 -27.72 64.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.399 -0.813 . . . . 0.0 110.004 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.736 ' CE1' HG23 ' A' ' 27' ' ' ILE . 7.4 t80 -75.72 -43.16 48.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.35 -0.844 . . . . 0.0 110.037 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.19 -29.75 69.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.374 -0.829 . . . . 0.0 110.104 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 15' ' ' ALA . 17.5 mt -62.01 -41.37 97.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.304 -0.873 . . . . 0.0 110.178 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -90.7 -28.85 18.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.372 -0.83 . . . . 0.0 110.241 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.14 118.54 8.06 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.329 -0.857 . . . . 0.0 109.947 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -60.14 -89.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.31 -0.869 . . . . 0.0 110.358 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -174.25 34.45 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.11 -0.994 . . . . 0.0 110.132 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -84.93 -47.33 10.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.265 -0.897 . . . . 0.0 110.184 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -168.88 -39.55 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.381 -0.825 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.33 43.34 0.03 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 p -134.44 145.34 48.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -1.09 . . . . 0.0 110.226 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.736 HG23 ' CE1' ' A' ' 16' ' ' PHE . 44.4 pt -119.57 158.18 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.364 -0.835 . . . . 0.0 110.223 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -81.59 160.13 23.89 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -65.59 -27.46 68.43 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.356 -0.84 . . . . 0.0 110.188 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.6 t -61.53 -30.87 70.91 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.289 -0.882 . . . . 0.0 110.159 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 26.1 mt-10 -93.11 -16.23 25.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.413 -0.804 . . . . 0.0 110.356 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD22 ' CD1' ' A' ' 63' ' ' ILE . 67.7 tp -53.58 -53.57 49.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.231 -0.918 . . . . 0.0 110.452 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.569 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -59.11 -40.23 84.72 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 110.224 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.1 m -68.98 -38.3 79.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.295 -0.878 . . . . 0.0 110.079 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.4 t -62.58 -36.62 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.379 -0.825 . . . . 0.0 109.795 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 42.4 mtt -69.45 -37.15 77.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.361 -0.837 . . . . 0.0 109.788 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -65.87 -36.25 82.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.422 -0.799 . . . . 0.0 110.113 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -69.25 -37.76 78.1 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.367 -0.833 . . . . 0.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.8 mt -63.92 -27.33 69.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.365 -0.834 . . . . 0.0 110.2 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.34 40.08 0.31 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.5 mt -128.55 176.37 7.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.307 -1.114 . . . . 0.0 110.132 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -167.23 63.7 0.7 Allowed Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.349 -0.844 . . . . 0.0 110.192 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.9 137.99 25.26 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 O-C-N 123.771 1.406 . . . . 0.0 110.431 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.73 171.33 1.19 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.428 -0.795 . . . . 0.0 110.178 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -59.69 -27.47 66.45 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.32 -0.862 . . . . 0.0 110.179 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.63 76.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.338 -0.851 . . . . 0.0 110.052 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -41.49 95.41 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.402 -0.812 . . . . 0.0 110.066 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 33' ' ' ALA . 60.4 t -62.59 -38.67 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.366 -0.834 . . . . 0.0 109.913 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -62.74 -40.84 98.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.364 -0.835 . . . . 0.0 110.029 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.92 -48.75 79.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.41 -0.806 . . . . 0.0 110.091 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.37 -38.79 88.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.347 -0.845 . . . . 0.0 110.002 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.4 mtt -69.71 -29.76 67.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.0 110.014 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -67.45 -39.22 85.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 110.097 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -72.36 -35.65 68.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.412 -0.805 . . . . 0.0 110.06 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.531 HD11 HD13 ' A' ' 71' ' ' LEU . 4.8 mt -83.04 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.454 -0.779 . . . . 0.0 109.996 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.612 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 38.1 t70 -50.48 -60.27 3.18 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.326 -0.859 . . . . 0.0 110.518 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.612 ' HB ' ' O ' ' A' ' 56' ' ' ASP . 60.7 t 70.57 -19.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.678 -0.639 . . . . 0.0 110.99 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' A' ' 56' ' ' ASP . 1.2 t0 -163.74 -65.88 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.222 -0.924 . . . . 0.0 110.253 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.48 35.76 0.03 OUTLIER Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -178.88 92.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.272 -1.134 . . . . 0.0 109.952 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 55' ' ' ILE . 4.9 t60 -154.57 109.22 3.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.295 -0.878 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -80.64 135.71 36.09 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.354 -0.841 . . . . 0.0 109.987 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.496 ' CD1' HD22 ' A' ' 32' ' ' LEU . 71.9 mt -89.1 121.68 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.279 -0.888 . . . . 0.0 110.317 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -92.77 160.16 15.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 109.982 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.674 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.8 t80 -55.92 -29.32 59.89 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.365 -0.834 . . . . 0.0 110.357 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -68.84 -54.02 18.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.331 -0.856 . . . . 0.0 110.003 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -66.39 -34.84 78.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.319 -0.863 . . . . 0.0 110.041 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.59 -48.89 77.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 110.033 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.674 HD11 ' CE2' ' A' ' 65' ' ' PHE . 47.4 mt -59.46 -39.84 84.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.289 -0.882 . . . . 0.0 110.196 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.72 77.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 110.048 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.531 HD13 HD11 ' A' ' 55' ' ' ILE . 13.0 mt -61.1 -42.89 99.35 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.354 -0.841 . . . . 0.0 110.026 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.0 mmm -63.01 -35.28 79.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.967 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.9 t -61.95 -45.72 92.43 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.418 -0.801 . . . . 0.0 110.185 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.417 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 10.2 ptt85 -62.11 -38.62 89.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.382 -0.824 . . . . 0.0 109.933 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.417 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 48.9 mt-30 -77.86 -35.87 50.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.482 -0.761 . . . . 0.0 110.234 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 38.8 mt -76.46 -22.4 54.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.374 -0.829 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -58.7 -176.68 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.383 -0.823 . . . . 0.0 110.356 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -83.19 -150.33 0.1 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.377 -0.827 . . . . 0.0 110.173 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 53.88 64.96 1.65 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.27 -0.894 . . . . 0.0 110.43 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -154.94 102.69 2.36 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.361 -0.837 . . . . 0.0 110.168 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -78.62 -42.65 28.29 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.346 -0.846 . . . . 0.0 110.255 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.81 -38.35 75.39 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.326 -0.859 . . . . 0.0 110.389 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.47 -31.39 70.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.415 -0.803 . . . . 0.0 109.943 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.69 -43.05 90.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.47 -0.768 . . . . 0.0 110.041 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.425 ' CD2' HD13 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -65.03 -43.64 91.71 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.997 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.51 -32.67 74.2 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.412 -0.805 . . . . 0.0 109.988 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.4 tp10 -66.28 -47.02 75.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.841 . . . . 0.0 109.992 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.86 -45.6 91.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.322 -0.861 . . . . 0.0 110.086 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HB3' HD13 ' A' ' 137' ' ' ILE . 9.5 m-85 -61.66 -33.76 74.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.307 -0.871 . . . . 0.0 110.094 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -41.54 92.54 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.374 -0.829 . . . . 0.0 110.056 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 87' ' ' GLU . 57.7 t -65.36 -33.82 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.354 -0.841 . . . . 0.0 110.0 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -74.87 -27.93 60.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.185 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.77 176.09 9.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.335 -0.853 . . . . 0.0 110.206 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -149.21 50.09 0.97 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.815 . . . . 0.0 110.226 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -166.61 -62.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.404 -0.81 . . . . 0.0 110.157 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.83 -26.89 2.48 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.49 -32.35 71.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -1.071 . . . . 0.0 110.29 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.94 62.13 1.25 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 37.4 mt -136.18 127.04 27.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.344 -1.092 . . . . 0.0 110.162 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 pt -138.77 160.23 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.324 -0.86 . . . . 0.0 110.218 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.8 m -79.77 160.28 26.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.373 -0.829 . . . . 0.0 110.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.86 -34.14 53.02 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.402 -0.811 . . . . 0.0 110.482 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.64 -57.43 11.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.251 -0.906 . . . . 0.0 110.12 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.0 mm-40 -59.4 -28.49 66.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.363 -0.836 . . . . 0.0 110.004 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.932 HD21 ' CE2' ' A' ' 140' ' ' PHE . 16.2 tp -68.77 -46.54 68.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.418 -0.801 . . . . 0.0 110.07 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -65.37 -28.77 69.51 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.42 -43.34 77.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.134 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.731 HG12 HD11 ' A' ' 112' ' ' ILE . 68.5 t -65.88 -41.95 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.299 -0.875 . . . . 0.0 110.002 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 140' ' ' PHE . 1.6 mt -60.69 -35.68 76.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.364 -0.835 . . . . 0.0 110.222 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.4 m -79.97 -30.36 39.74 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.458 -0.776 . . . . 0.0 110.149 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.8 t -74.54 -42.61 58.54 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.282 -0.886 . . . . 0.0 110.162 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.731 HD11 HG12 ' A' ' 108' ' ' VAL . 66.2 mt -60.3 -25.22 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.335 -0.853 . . . . 0.0 110.213 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.84 27.2 38.86 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.03 -16.99 62.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.368 -1.078 . . . . 0.0 110.201 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt 54.93 44.91 27.55 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.271 -0.893 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.12 118.47 31.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.364 -0.835 . . . . 0.0 110.176 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -59.74 166.09 2.75 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.415 -0.803 . . . . 0.0 110.233 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.12 -29.55 69.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.293 -0.88 . . . . 0.0 110.191 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.28 -46.42 88.88 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.342 -0.849 . . . . 0.0 110.052 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.69 -51.86 65.56 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.356 -0.84 . . . . 0.0 110.155 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.61 -27.26 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.37 -0.832 . . . . 0.0 109.955 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.37 -48.9 25.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.332 -0.855 . . . . 0.0 109.981 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.44 -29.23 69.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.4 -0.813 . . . . 0.0 110.1 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.421 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 2.9 mtp -75.6 -37.5 59.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.425 -0.797 . . . . 0.0 110.001 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.49 -32.62 73.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.398 -0.814 . . . . 0.0 110.095 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -39.14 93.57 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.364 -0.835 . . . . 0.0 110.201 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -80.3 -33.19 37.83 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.298 -0.876 . . . . 0.0 110.395 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.58 HG12 HG23 ' A' ' 135' ' ' ILE . 57.4 t -87.53 -60.95 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.869 . . . . 0.0 110.254 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 t -56.92 107.64 0.42 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.353 -0.842 . . . . 0.0 110.412 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -167.63 32.12 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.428 -0.795 . . . . 0.0 110.176 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.9 -104.96 1.98 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -41.25 3.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.346 -1.09 . . . . 0.0 110.275 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -179.41 -38.0 0.07 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 153.7 28.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.356 -1.085 . . . . 0.0 110.112 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.58 HG23 HG12 ' A' ' 128' ' ' VAL . 79.9 mt -121.22 144.76 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.372 -0.83 . . . . 0.0 110.107 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -85.44 130.85 34.49 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.381 -0.825 . . . . 0.0 110.166 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 89' ' ' PHE . 18.6 pt -70.08 -21.24 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.356 -0.84 . . . . 0.0 110.483 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -51.89 67.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.927 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -64.01 -38.41 90.96 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.391 -0.818 . . . . 0.0 110.143 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.932 ' CE2' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -69.84 -41.35 75.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.045 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.67 69.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.867 . . . . 0.0 110.116 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.15 -40.5 59.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.298 -0.876 . . . . 0.0 110.114 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.88 -32.48 74.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.352 -0.842 . . . . 0.0 110.092 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.02 -29.45 39.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -0.834 . . . . 0.0 110.201 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 146' ' ' LYS . 27.7 t -84.08 80.52 9.15 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.378 -0.826 . . . . 0.0 110.227 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 145' ' ' SER . 25.3 pttt . . . . . 0 N--CA 1.503 2.176 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.424 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.5 p . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.185 0.516 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 t -130.75 45.61 2.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.395 -0.816 . . . . 0.0 110.18 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -93.96 -173.73 3.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.312 -0.867 . . . . 0.0 110.243 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.449 HD22 ' HE2' ' A' ' 12' ' ' PHE . 20.7 mt -61.06 126.69 28.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.365 -0.835 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.1 p -73.38 172.52 11.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.431 -0.793 . . . . 0.0 110.17 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.99 -40.1 92.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.412 -0.805 . . . . 0.0 110.199 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -61.93 -47.79 83.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.128 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -61.62 -43.75 98.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.344 -0.848 . . . . 0.0 110.173 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.25 -31.95 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.408 -0.807 . . . . 0.0 109.98 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.0 89.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.332 -0.855 . . . . 0.0 110.008 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.21 -48.4 65.28 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.325 -0.859 . . . . 0.0 110.126 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' HE2' HD22 ' A' ' 4' ' ' LEU . 23.8 m-85 -62.57 -38.18 89.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 0.0 110.025 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 2.9 ttmm -62.59 -39.94 95.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.232 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.48 -49.14 76.57 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.322 -0.861 . . . . 0.0 110.201 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.47 -27.19 65.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -0.807 . . . . 0.0 110.128 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.711 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.0 t80 -74.96 -46.85 32.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.21 -0.932 . . . . 0.0 110.172 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.57 -24.76 64.64 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.413 -0.804 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 18' ' ' LEU . 11.2 mt -63.11 -31.42 72.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.231 -0.918 . . . . 0.0 110.379 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -103.73 -27.7 12.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.31 -0.869 . . . . 0.0 110.41 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -62.34 -85.76 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.27 -0.894 . . . . 0.0 109.971 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt 49.08 38.5 12.98 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.182 -0.949 . . . . 0.0 110.66 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -122.07 19.52 10.78 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.368 -0.832 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 51.25 32.85 8.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.273 -0.892 . . . . 0.0 110.465 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 29.0 p-10 -132.61 -40.57 0.97 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.426 -0.796 . . . . 0.0 110.558 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.31 31.33 6.89 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 p -148.42 148.62 30.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.31 -1.112 . . . . 0.0 110.177 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.711 HG23 ' CE1' ' A' ' 16' ' ' PHE . 46.1 pt -119.87 157.74 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.438 -0.788 . . . . 0.0 110.182 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -82.06 160.05 23.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.462 -0.774 . . . . 0.0 110.241 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -38.53 80.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.863 . . . . 0.0 110.339 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -55.79 -25.72 42.63 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -0.9 . . . . 0.0 110.349 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.812 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.2 mt-10 -95.05 -16.32 22.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.307 -0.871 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 63' ' ' ILE . 63.8 tp -58.5 -49.95 75.53 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.222 -0.924 . . . . 0.0 110.346 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.79 85.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.374 -0.829 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.5 m -68.47 -40.34 81.06 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.363 -0.836 . . . . 0.0 110.092 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.8 t -60.87 -34.37 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.83 . . . . 0.0 109.89 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.1 mtt -72.86 -34.72 66.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.436 -0.79 . . . . 0.0 109.798 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -65.32 -35.51 81.21 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.513 -0.742 . . . . 0.0 110.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.6 m -80.2 -33.24 38.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.421 -0.799 . . . . 0.0 110.229 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.5 -22.14 66.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.36 -0.838 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.67 31.2 1.68 Allowed Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.4 mt -122.18 178.33 4.97 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.307 -1.113 . . . . 0.0 110.021 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 p -167.32 64.78 0.74 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.287 -0.883 . . . . 0.0 110.38 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.5 137.74 25.85 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 O-C-N 123.7 1.369 . . . . 0.0 110.417 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.6 m -61.98 172.81 1.24 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.388 -0.82 . . . . 0.0 110.113 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -27.65 68.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.383 -0.823 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.72 -43.43 75.96 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.832 . . . . 0.0 110.117 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -67.79 -36.38 80.34 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.351 -0.843 . . . . 0.0 109.965 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 44' ' ' SER . 67.1 t -67.71 -40.23 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.368 -0.832 . . . . 0.0 109.945 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -61.88 -41.4 97.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.376 -0.827 . . . . 0.0 110.055 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.89 -48.37 82.11 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.381 -0.825 . . . . 0.0 110.107 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 55' ' ' ILE . 4.5 mp -62.28 -44.19 97.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.402 -0.811 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mtt -67.86 -29.11 68.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -0.824 . . . . 0.0 109.952 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -66.44 -37.08 84.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.432 -0.792 . . . . 0.0 109.985 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -75.61 -31.39 59.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.402 -0.811 . . . . 0.0 109.921 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 51' ' ' LEU . 10.8 mt -87.26 -62.23 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.546 -0.721 . . . . 0.0 109.981 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.22 110.24 3.41 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.411 -0.806 . . . . 0.0 110.248 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 55' ' ' ILE . 75.6 t -113.2 -60.89 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.358 -0.839 . . . . 0.0 109.926 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -100.59 34.37 2.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.816 . . . . 0.0 110.056 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.46 24.42 65.8 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -164.11 78.33 0.38 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.333 -1.098 . . . . 0.0 110.197 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.42 ' CD2' HG23 ' A' ' 55' ' ' ILE . 4.2 t60 -135.88 115.02 12.36 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.376 -0.828 . . . . 0.0 110.149 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -90.74 132.65 35.7 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.41 -0.806 . . . . 0.0 110.169 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.433 ' CD1' HD22 ' A' ' 32' ' ' LEU . 76.7 mt -82.17 131.3 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.412 -0.805 . . . . 0.0 110.306 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -94.23 160.11 14.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.391 -0.818 . . . . 0.0 110.046 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.638 ' CE2' HD11 ' A' ' 69' ' ' LEU . 22.8 t80 -57.49 -33.15 67.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.308 -0.87 . . . . 0.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.9 t -66.49 -54.2 26.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.399 -0.813 . . . . 0.0 110.075 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.69 -35.18 78.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.342 -0.849 . . . . 0.0 110.035 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -64.93 -45.4 85.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.34 -0.85 . . . . 0.0 110.129 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 65' ' ' PHE . 50.4 mt -59.63 -38.68 81.99 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.319 -0.863 . . . . 0.0 110.106 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.51 -50.79 41.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.432 -0.793 . . . . 0.0 109.971 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.36 -31.33 70.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.313 -0.867 . . . . 0.0 109.894 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.433 ' HB3' ' HE3' ' A' ' 72' ' ' MET . 73.4 mmm -70.19 -41.53 73.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 109.96 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.583 ' HA ' HD12 ' A' ' 76' ' ' LEU . 5.3 t -60.16 -39.76 87.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.411 -0.806 . . . . 0.0 110.053 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.72 -25.84 44.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.428 -0.795 . . . . 0.0 110.155 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.493 ' HG3' HD21 ' A' ' 51' ' ' LEU . 13.7 mm-40 -85.1 -22.48 28.89 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.364 -0.835 . . . . 0.0 110.326 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 73' ' ' SER . 13.5 mt -58.52 -28.17 65.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.283 -0.886 . . . . 0.0 110.345 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.52 46.92 0.92 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.394 -0.816 . . . . 0.0 110.215 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.3 p -69.21 -176.88 0.98 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.397 -0.814 . . . . 0.0 110.204 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -104.4 -166.76 1.28 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.328 -0.857 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.17 125.46 31.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.353 -0.842 . . . . 0.0 110.149 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.37 -35.0 58.91 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.833 . . . . 0.0 110.182 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.7 -35.4 66.02 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.345 -0.847 . . . . 0.0 110.296 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.65 -43.15 99.55 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.349 -0.845 . . . . 0.0 110.112 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.81 -43.9 97.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.347 -0.846 . . . . 0.0 110.137 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -45.85 92.36 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.346 -0.846 . . . . 0.0 110.08 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.11 -29.96 71.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.335 -0.853 . . . . 0.0 109.997 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -46.27 62.4 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.41 -0.806 . . . . 0.0 109.993 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.94 -44.82 95.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.396 -0.815 . . . . 0.0 110.088 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.635 ' HB3' HD13 ' A' ' 137' ' ' ILE . 10.3 m-85 -63.39 -31.09 72.15 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.452 -0.78 . . . . 0.0 110.115 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -66.58 -42.61 86.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.359 -0.838 . . . . 0.0 110.203 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.53 -47.89 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.353 -0.842 . . . . 0.0 109.99 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.38 -27.37 68.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.334 -0.854 . . . . 0.0 110.205 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 95' ' ' ASN . 23.6 t0 -67.57 -30.32 69.91 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.316 -0.865 . . . . 0.0 110.187 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.93 -66.41 0.16 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.573 -0.704 . . . . 0.0 110.486 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ASP . 19.0 m120 -55.52 -70.1 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.272 -0.893 . . . . 0.0 110.348 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.47 -28.39 1.07 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -61.31 -58.91 6.33 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.371 -1.076 . . . . 0.0 110.193 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.0 50.9 0.19 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 81.6 mt -121.47 104.7 9.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.242 -1.152 . . . . 0.0 110.155 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.9 pt -126.14 159.77 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.351 -0.843 . . . . 0.0 110.306 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 t -79.89 160.3 26.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.25 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.9 -28.53 23.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.351 -0.843 . . . . 0.0 110.446 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.3 -53.07 49.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.326 -0.859 . . . . 0.0 110.108 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 108' ' ' VAL . 10.4 mt-10 -62.88 -33.14 74.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.419 -0.8 . . . . 0.0 110.108 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.803 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.1 tp -67.5 -40.29 85.2 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.359 -0.838 . . . . 0.0 109.97 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -68.23 -37.22 80.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.362 -0.836 . . . . 0.0 110.258 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -67.44 -31.48 71.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.376 -0.828 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 104' ' ' GLU . 98.6 t -74.95 -39.08 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.388 -0.82 . . . . 0.0 110.14 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.7 -40.83 98.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.397 -0.815 . . . . 0.0 110.234 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.5 m -71.63 -32.39 67.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -68.14 -43.97 77.11 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.31 -0.869 . . . . 0.0 110.211 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.89 -29.38 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.395 -0.815 . . . . 0.0 109.971 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.88 27.09 22.6 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.39 150.1 42.02 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.325 -1.103 . . . . 0.0 110.123 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 64.53 3.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.423 -0.798 . . . . 0.0 110.26 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.655 HD11 HD22 ' A' ' 144' ' ' LEU . 59.5 mt -112.36 104.37 12.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.0 110.121 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.0 p -58.87 166.23 2.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.0 110.344 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.87 -29.63 70.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.386 -0.821 . . . . 0.0 110.14 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.93 96.73 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.423 -0.798 . . . . 0.0 110.111 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -65.4 -51.94 56.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.39 -0.819 . . . . 0.0 110.067 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.621 HG12 ' CD1' ' A' ' 125' ' ' LEU . 88.8 t -62.66 -28.37 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 109.94 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.16 -44.28 76.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.329 -0.857 . . . . 0.0 110.004 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.89 -29.13 68.16 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.364 -0.835 . . . . 0.0 109.95 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.492 ' HE2' ' CZ ' ' A' ' 140' ' ' PHE . 0.3 OUTLIER -79.28 -35.1 41.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.386 -0.821 . . . . 0.0 110.032 179.836 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.621 ' CD1' HG12 ' A' ' 121' ' ' VAL . 57.1 mt -71.43 -26.28 62.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.416 -0.803 . . . . 0.0 110.158 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -69.53 -37.97 77.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.078 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -80.08 -29.87 39.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 110.189 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.667 ' CG1' HG23 ' A' ' 135' ' ' ILE . 59.7 t -96.67 -61.16 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.348 -0.845 . . . . 0.0 110.267 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.5 t -72.56 -159.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.388 -0.82 . . . . 0.0 110.243 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.03 40.63 28.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.385 -0.822 . . . . 0.0 110.496 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -149.5 -48.6 0.02 OUTLIER Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 45.6 m -128.7 -42.24 1.45 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.084 . . . . 0.0 110.185 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 133.24 -52.77 0.81 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -87.0 135.2 33.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.349 -1.089 . . . . 0.0 110.16 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.667 HG23 ' CG1' ' A' ' 128' ' ' VAL . 88.7 mt -102.84 146.67 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.317 -0.864 . . . . 0.0 110.119 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -92.57 137.84 32.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.456 -0.778 . . . . 0.0 110.17 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.635 HD13 ' HB3' ' A' ' 89' ' ' PHE . 1.1 pt -76.81 -21.2 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.329 -0.857 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.55 -53.88 20.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.255 -0.903 . . . . 0.0 110.215 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.45 -40.44 97.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.388 -0.82 . . . . 0.0 110.147 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.803 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -66.94 -44.41 80.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.839 . . . . 0.0 110.093 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.01 -30.2 70.79 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.392 -0.817 . . . . 0.0 110.088 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.32 -33.81 63.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.354 -0.841 . . . . 0.0 110.053 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.487 HD13 ' HG2' ' A' ' 124' ' ' MET . 13.8 mt -69.16 -34.08 74.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.408 -0.808 . . . . 0.0 110.198 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.655 HD22 HD11 ' A' ' 116' ' ' LEU . 87.0 mt -73.66 -49.74 24.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.339 -0.85 . . . . 0.0 110.237 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 t -63.44 162.15 13.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.33 -0.856 . . . . 0.0 110.108 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 18.3 pttt . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.326 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.167 0.508 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 p -135.02 27.29 3.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.367 -0.833 . . . . 0.0 110.272 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -166.68 163.79 16.73 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.43 -0.794 . . . . 0.0 110.173 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.565 HD22 ' HE2' ' A' ' 12' ' ' PHE . 27.4 mt -71.78 129.77 39.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.328 -0.858 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 p -83.44 176.41 9.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.314 -0.866 . . . . 0.0 110.152 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -61.41 -37.38 83.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 110.297 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.15 -44.95 86.93 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.383 -0.823 . . . . 0.0 110.216 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 6.1 mt-30 -66.84 -42.34 85.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.446 -0.784 . . . . 0.0 110.225 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.58 -31.67 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.348 -0.845 . . . . 0.0 110.052 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.56 81.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.422 -0.799 . . . . 0.0 110.078 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -67.03 -48.43 68.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.323 -0.86 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.565 ' HE2' HD22 ' A' ' 4' ' ' LEU . 23.2 m-85 -60.82 -37.83 83.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.343 -0.848 . . . . 0.0 110.148 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -61.06 -43.14 99.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.319 -0.863 . . . . 0.0 110.204 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.31 -53.73 53.0 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.352 -0.842 . . . . 0.0 110.159 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -63.67 -37.28 86.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.299 -0.876 . . . . 0.0 110.149 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.9 t80 -68.05 -42.39 80.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.318 -0.864 . . . . 0.0 110.212 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -29.05 70.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 110.162 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 15' ' ' ALA . 22.6 mt -63.19 -30.98 72.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.297 -0.877 . . . . 0.0 110.169 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.666 ' O ' HG22 ' A' ' 27' ' ' ILE . 97.5 m-85 -114.98 25.12 11.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.403 -0.811 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -78.13 -163.61 0.45 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.19 -0.944 . . . . 0.0 110.425 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -119.92 -38.13 3.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.459 -0.776 . . . . 0.0 110.219 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -161.71 -52.36 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.341 -0.849 . . . . 0.0 110.212 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.79 -36.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.462 -0.774 . . . . 0.0 110.21 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -52.62 -26.59 14.03 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.329 -0.857 . . . . 0.0 110.423 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.48 96.06 0.67 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 p -160.32 105.09 1.47 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.423 -1.045 . . . . 0.0 110.105 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 19' ' ' PHE . 36.2 pt -109.16 149.23 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.136 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.33 158.54 26.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.407 -0.808 . . . . 0.0 110.174 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -60.78 -28.98 69.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.334 -0.853 . . . . 0.0 110.247 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -62.17 -28.38 69.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.357 -0.84 . . . . 0.0 110.221 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.831 ' O ' HG23 ' A' ' 35' ' ' VAL . 28.7 mt-10 -93.66 -14.84 25.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.338 -0.851 . . . . 0.0 110.397 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.557 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 56.5 tp -54.5 -51.62 64.51 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.242 -0.911 . . . . 0.0 110.354 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.67 85.69 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 110.157 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -67.77 -37.81 82.6 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.327 -0.858 . . . . 0.0 110.064 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 31' ' ' GLU . 91.8 t -63.43 -37.0 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.349 -0.844 . . . . 0.0 109.936 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.8 mtt -69.6 -35.79 75.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.404 -0.81 . . . . 0.0 109.98 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -66.1 -36.62 83.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.445 -0.785 . . . . 0.0 110.287 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -76.11 -30.86 58.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.355 -0.84 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.94 -23.18 63.16 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.339 -0.851 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.38 32.48 1.35 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.3 mt -123.36 176.3 6.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.313 -1.11 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -168.67 68.65 0.73 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.298 -0.876 . . . . 0.0 110.231 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.92 140.02 28.13 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.812 1.427 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.07 169.15 1.13 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.387 -0.82 . . . . 0.0 110.206 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.19 -29.79 68.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.36 -0.837 . . . . 0.0 110.214 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.46 -41.5 72.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.421 -0.8 . . . . 0.0 110.074 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.67 -39.73 94.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.314 -0.866 . . . . 0.0 109.861 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.34 -49.86 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.41 -0.806 . . . . 0.0 110.011 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -52.18 -43.72 64.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.328 -0.857 . . . . 0.0 110.392 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -58.01 -48.0 81.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.244 -0.91 . . . . 0.0 110.005 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.82 HD21 ' HG3' ' A' ' 75' ' ' GLN . 5.6 mp -65.31 -50.67 64.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.339 -0.851 . . . . 0.0 109.882 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.557 ' HE3' ' HB3' ' A' ' 32' ' ' LEU . 1.3 mpt? -63.66 -26.97 68.91 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.397 -0.814 . . . . 0.0 110.23 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.92 -38.45 79.55 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.287 -0.883 . . . . 0.0 109.842 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.2 -32.16 55.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -0.842 . . . . 0.0 109.851 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 51' ' ' LEU . 6.6 mt -81.42 -62.8 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.508 -0.745 . . . . 0.0 109.809 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -57.93 121.07 9.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.394 -0.816 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -102.81 -60.17 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.4 -0.812 . . . . 0.0 110.072 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -100.9 -52.9 3.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.47 -46.07 0.02 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -121.84 122.12 38.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.279 -1.13 . . . . 0.0 110.255 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -129.21 125.71 37.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.397 -0.814 . . . . 0.0 110.008 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -89.48 113.29 24.64 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -0.835 . . . . 0.0 110.04 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.6 mt -79.96 130.79 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.369 -0.832 . . . . 0.0 110.16 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -93.94 160.15 14.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.457 -0.777 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.605 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.9 t80 -56.54 -32.7 65.39 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.545 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -62.2 -60.08 4.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.293 -0.879 . . . . 0.0 110.08 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.31 -33.99 75.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.333 -0.854 . . . . 0.0 110.149 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.77 -48.93 79.57 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.414 -0.804 . . . . 0.0 109.987 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.605 HD11 ' CE2' ' A' ' 65' ' ' PHE . 37.6 mt -59.92 -39.82 86.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -0.848 . . . . 0.0 110.0 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.43 61.24 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.428 -0.795 . . . . 0.0 110.061 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.7 mt -62.6 -35.88 80.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.352 -0.843 . . . . 0.0 109.979 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.773 ' O ' HD12 ' A' ' 76' ' ' LEU . 74.7 mmm -63.92 -44.35 93.16 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.803 . . . . 0.0 109.975 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -61.52 -36.38 80.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.454 -0.779 . . . . 0.0 109.992 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -68.76 -29.57 67.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.456 -0.778 . . . . 0.0 109.954 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.82 ' HG3' HD21 ' A' ' 51' ' ' LEU . 2.2 mm100 -92.61 -27.72 17.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 110.214 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.773 HD12 ' O ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -78.1 -8.61 58.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.428 -0.795 . . . . 0.0 110.615 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.87 -35.26 72.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.152 -0.968 . . . . 0.0 110.441 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.4 p -77.44 -56.82 4.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.336 -0.852 . . . . 0.0 110.261 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -99.62 129.35 45.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -135.7 -176.7 4.38 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.435 -0.791 . . . . 0.0 110.143 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 85' ' ' LEU . 25.6 m -63.61 -36.76 84.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.353 -0.842 . . . . 0.0 110.184 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -65.52 -57.21 8.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.35 -0.844 . . . . 0.0 110.257 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.99 -38.94 80.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.276 -0.89 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.48 -32.18 72.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.273 -0.892 . . . . 0.0 110.028 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 81' ' ' SER . 1.1 mt -69.88 -45.91 66.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.394 -0.816 . . . . 0.0 109.985 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.57 -28.2 69.47 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.97 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -69.76 -45.38 68.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.46 -0.775 . . . . 0.0 110.06 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.51 72.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.334 -0.854 . . . . 0.0 110.113 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.583 ' HB3' HG21 ' A' ' 137' ' ' ILE . 9.5 m-85 -61.3 -39.84 91.96 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.316 -0.865 . . . . 0.0 110.052 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -63.78 -41.15 98.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.353 -0.842 . . . . 0.0 109.992 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 87' ' ' GLU . 62.4 t -64.7 -31.6 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.438 -0.789 . . . . 0.0 110.031 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE2' HG22 ' A' ' 108' ' ' VAL . 5.8 m-85 -72.18 -32.91 67.27 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.408 -0.808 . . . . 0.0 110.161 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.5 167.68 2.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.33 -0.856 . . . . 0.0 109.985 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.39 -65.31 1.17 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 0.0 110.616 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.84 -78.47 0.11 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.349 -0.844 . . . . 0.0 110.46 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.57 -44.03 0.02 OUTLIER Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.0 124.97 20.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.341 -1.094 . . . . 0.0 110.107 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -72.45 64.35 1.4 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.4 mt -112.87 110.82 21.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.34 -1.094 . . . . 0.0 110.12 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.7 160.22 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.38 -0.825 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.87 160.25 26.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.328 -0.858 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.33 -26.46 18.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.353 -0.842 . . . . 0.0 110.442 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.44 -57.29 6.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.339 -0.851 . . . . 0.0 110.175 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.6 mt-10 -59.72 -26.81 65.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.326 -0.859 . . . . 0.0 110.174 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.854 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.3 tp -71.25 -45.34 63.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 110.127 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -63.95 -38.45 91.13 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.437 -0.789 . . . . 0.0 110.044 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -64.69 -41.76 95.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.318 -0.864 . . . . 0.0 110.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 104' ' ' GLU . 71.3 t -64.15 -41.71 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.305 -0.872 . . . . 0.0 110.025 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.61 -26.95 67.33 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.349 -0.844 . . . . 0.0 110.225 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.4 m -69.01 -45.34 70.76 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.3 -0.875 . . . . 0.0 110.14 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.6 m -61.09 -44.55 97.19 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.281 -0.887 . . . . 0.0 110.111 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.24 -19.89 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.335 -0.853 . . . . 0.0 110.231 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.68 15.99 60.72 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.77 106.34 2.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.23 -1.159 . . . . 0.0 109.928 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.8 63.85 0.46 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.384 -0.822 . . . . 0.0 110.28 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 52.8 mt -97.26 108.99 21.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 110.124 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.1 p -61.31 164.93 4.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.295 -0.878 . . . . 0.0 110.209 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -61.03 -32.38 71.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.447 -0.783 . . . . 0.0 110.2 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.51 97.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -0.875 . . . . 0.0 110.207 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.98 -52.62 40.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.356 -0.84 . . . . 0.0 110.088 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.437 HG12 ' CD1' ' A' ' 125' ' ' LEU . 67.7 t -61.14 -24.71 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.321 -0.862 . . . . 0.0 110.046 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.14 -47.94 39.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.255 -0.903 . . . . 0.0 110.122 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.78 -31.7 69.78 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.499 ' O ' HG23 ' A' ' 128' ' ' VAL . 5.3 ttp -80.04 -24.87 40.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 0.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.437 ' CD1' HG12 ' A' ' 121' ' ' VAL . 11.1 mt -74.08 -44.8 52.74 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 110.429 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -32.15 72.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.341 -0.85 . . . . 0.0 110.456 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -80.13 -20.7 44.38 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.314 -0.866 . . . . 0.0 110.562 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 124' ' ' MET . 72.5 t -103.88 -36.3 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.261 -0.899 . . . . 0.0 110.373 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.0 t -61.2 -82.45 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.295 -0.878 . . . . 0.0 110.391 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 51.12 25.99 2.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.215 -0.928 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.5 -95.1 0.65 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.8 t -146.95 -44.54 0.18 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.343 -1.092 . . . . 0.0 110.323 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -170.03 -38.84 0.03 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.72 132.49 36.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.315 -1.109 . . . . 0.0 110.092 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.468 HG23 HG12 ' A' ' 128' ' ' VAL . 59.5 mt -121.45 157.77 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -0.874 . . . . 0.0 110.068 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -88.13 143.58 26.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.279 -0.888 . . . . 0.0 110.17 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.583 HG21 ' HB3' ' A' ' 89' ' ' PHE . 16.5 pt -78.93 -16.1 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.358 -0.839 . . . . 0.0 110.599 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -64.01 -56.84 12.17 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.209 -0.932 . . . . 0.0 110.426 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -60.43 -44.49 95.72 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.317 -0.864 . . . . 0.0 110.42 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.854 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -62.62 -44.73 95.54 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.48 -29.74 70.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.406 -0.809 . . . . 0.0 110.148 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.13 -35.72 36.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.422 -0.799 . . . . 0.0 110.197 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.25 -39.82 94.15 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.427 -0.796 . . . . 0.0 110.228 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.7 mt -75.79 -27.58 58.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.405 -0.81 . . . . 0.0 110.172 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -66.4 -45.21 80.76 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.441 -0.787 . . . . 0.0 110.184 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 13.1 pttt . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.305 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.187 0.517 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.33 78.12 0.23 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.333 -0.854 . . . . 0.0 110.177 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -96.94 149.16 22.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.264 -0.897 . . . . 0.0 110.168 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.6 HD22 ' HE2' ' A' ' 12' ' ' PHE . 33.9 mt -84.2 125.98 32.7 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.471 -0.768 . . . . 0.0 110.483 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -85.05 -179.61 7.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.391 -0.818 . . . . 0.0 109.846 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -61.82 -28.46 69.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.288 -0.882 . . . . 0.0 110.249 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -71.91 -46.01 59.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 110.033 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 24.9 mm-40 -69.84 -40.99 75.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 109.92 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.484 HD11 ' O ' ' A' ' 4' ' ' LEU . 69.6 mt -67.78 -29.29 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.466 -0.771 . . . . 0.0 109.889 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.12 72.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.345 -0.847 . . . . 0.0 109.891 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.71 -46.9 83.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.472 -0.767 . . . . 0.0 110.076 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.6 ' HE2' HD22 ' A' ' 4' ' ' LEU . 26.1 m-85 -60.82 -38.22 84.7 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.365 -0.834 . . . . 0.0 109.986 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -60.2 -40.2 89.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.387 -0.82 . . . . 0.0 110.065 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.67 -49.57 74.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.393 -0.817 . . . . 0.0 110.067 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.84 64.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.334 -0.853 . . . . 0.0 110.134 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.718 ' CE1' HG23 ' A' ' 27' ' ' ILE . 10.5 t80 -75.02 -34.5 61.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.82 . . . . 0.0 110.149 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -30.08 61.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.376 -0.827 . . . . 0.0 110.065 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 18' ' ' LEU . 22.2 mt -62.8 -29.15 70.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.347 -0.845 . . . . 0.0 110.127 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -111.41 30.89 6.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.361 -0.837 . . . . 0.0 110.242 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -138.98 91.25 2.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.321 -0.862 . . . . 0.0 110.249 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -58.71 -73.63 0.08 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.329 -0.857 . . . . 0.0 109.912 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -137.84 -119.24 0.14 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.377 -0.827 . . . . 0.0 109.371 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.4 m120 43.17 45.78 4.9 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.173 -0.954 . . . . 0.0 110.876 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.8 t30 57.26 173.17 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.315 -0.866 . . . . 0.0 110.171 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.06 88.97 0.15 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -159.95 134.16 7.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.32 -1.106 . . . . 0.0 110.476 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.718 HG23 ' CE1' ' A' ' 16' ' ' PHE . 40.2 pt -118.54 159.24 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.369 -0.832 . . . . 0.0 110.14 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -81.92 159.42 23.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -64.01 -31.9 73.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.448 -0.782 . . . . 0.0 110.204 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.4 m -59.22 -28.44 66.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.376 -0.828 . . . . 0.0 110.207 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.815 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.3 mt-10 -92.6 -15.82 26.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.423 -0.798 . . . . 0.0 110.507 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 HD13 ' A' ' 55' ' ' ILE . 62.3 tp -55.75 -53.27 58.64 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.177 -0.952 . . . . 0.0 110.338 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.51 74.28 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.341 -0.849 . . . . 0.0 110.181 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.5 m -71.9 -39.92 69.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 0.0 109.993 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 31' ' ' GLU . 96.0 t -62.22 -33.73 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.844 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.0 mtt -74.73 -34.05 62.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 0.0 109.877 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -68.2 -31.55 71.15 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.446 -0.784 . . . . 0.0 110.083 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 m -79.77 -33.18 40.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.417 -0.802 . . . . 0.0 110.151 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.29 -24.9 68.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.424 -0.797 . . . . 0.0 110.292 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.97 35.22 0.97 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.3 mt -121.86 -178.42 3.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -1.135 . . . . 0.0 110.118 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.64 68.27 0.86 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.333 -0.854 . . . . 0.0 110.108 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.42 137.64 25.9 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 O-C-N 123.667 1.351 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.93 168.42 2.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -59.33 -28.23 66.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.305 -0.872 . . . . 0.0 110.083 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.73 -39.34 70.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.362 -0.836 . . . . 0.0 109.994 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.7 -40.1 88.35 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.382 -0.824 . . . . 0.0 110.022 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.0 -40.81 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.36 -0.838 . . . . 0.0 109.96 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -62.98 -38.71 92.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.364 -0.835 . . . . 0.0 110.074 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.89 -47.57 82.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.437 -0.79 . . . . 0.0 110.023 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 55' ' ' ILE . 9.8 mt -62.13 -45.68 92.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.016 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.5 mtt -66.16 -28.17 68.57 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.37 -0.831 . . . . 0.0 109.819 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -65.99 -40.18 90.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.468 -0.77 . . . . 0.0 109.86 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.429 ' OE1' HD21 ' A' ' 71' ' ' LEU . 9.9 tt0 -72.96 -31.36 64.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 109.981 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.469 HD13 HD22 ' A' ' 32' ' ' LEU . 17.8 mt -85.92 -60.07 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.394 -0.817 . . . . 0.0 109.97 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -71.66 101.81 2.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.379 -0.825 . . . . 0.0 110.206 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.8 t -99.95 -37.34 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.367 -0.833 . . . . 0.0 110.2 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -138.53 41.69 2.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.12 28.74 72.65 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -166.21 98.54 0.62 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.33 -1.1 . . . . 0.0 110.205 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -165.46 103.79 0.72 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.362 -0.836 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -82.46 136.59 34.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.889 . . . . 0.0 109.99 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.8 mt -87.55 122.46 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.274 -0.891 . . . . 0.0 110.271 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.42 160.2 18.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 109.937 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.647 ' CE2' HD11 ' A' ' 69' ' ' LEU . 18.8 t80 -58.05 -25.77 61.63 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.292 -0.88 . . . . 0.0 110.418 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.0 t -72.24 -52.73 15.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.31 -0.869 . . . . 0.0 110.09 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -64.27 -33.03 74.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.432 -0.793 . . . . 0.0 110.003 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -64.45 -50.5 67.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.309 -0.87 . . . . 0.0 110.091 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.647 HD11 ' CE2' ' A' ' 65' ' ' PHE . 47.2 mt -59.79 -34.09 72.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.155 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.11 -47.16 59.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.435 -0.791 . . . . 0.0 110.077 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.429 HD21 ' OE1' ' A' ' 54' ' ' GLU . 4.6 mt -61.72 -39.93 93.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.363 -0.836 . . . . 0.0 110.066 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.454 ' O ' HD12 ' A' ' 76' ' ' LEU . 88.0 mmm -65.21 -36.49 84.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 110.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.8 t -61.81 -43.77 98.19 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.455 -0.778 . . . . 0.0 110.026 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -69.25 -27.0 65.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -0.81 . . . . 0.0 110.199 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -87.15 -38.84 16.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.311 -0.868 . . . . 0.0 110.247 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 72' ' ' MET . 17.1 mt -61.42 -26.91 68.17 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.265 -0.897 . . . . 0.0 110.232 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.46 118.14 36.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.425 -0.797 . . . . 0.0 110.115 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.7 t -133.11 171.88 13.41 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.397 -0.814 . . . . 0.0 110.383 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -107.35 -169.99 1.63 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.364 -0.835 . . . . 0.0 110.211 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.82 -168.07 2.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.374 -0.829 . . . . 0.0 110.298 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.9 t -66.12 -48.79 69.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 110.246 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -59.47 -54.66 44.01 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.308 -0.87 . . . . 0.0 110.155 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -58.38 -27.36 64.17 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.331 -0.856 . . . . 0.0 110.144 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.74 -45.0 84.24 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.416 -0.802 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.56 -49.5 70.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.362 -0.836 . . . . 0.0 110.057 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.66 -30.71 70.07 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.341 -0.85 . . . . 0.0 110.019 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.0 tp10 -64.91 -46.88 79.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.491 -0.756 . . . . 0.0 110.089 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.49 93.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.333 -0.854 . . . . 0.0 110.071 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.649 ' HB3' HD13 ' A' ' 137' ' ' ILE . 9.9 m-85 -60.11 -28.82 68.16 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.384 -0.823 . . . . 0.0 110.213 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -73.63 -41.67 62.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.399 -0.813 . . . . 0.0 110.102 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 87' ' ' GLU . 61.2 t -60.47 -39.13 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.4 -0.813 . . . . 0.0 110.097 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD1' HG22 ' A' ' 108' ' ' VAL . 12.2 m-85 -70.69 -25.04 62.79 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.414 -0.803 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -66.74 146.67 54.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.333 -0.854 . . . . 0.0 110.287 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -60.03 -62.83 1.58 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.383 -0.823 . . . . 0.0 110.155 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -106.23 -153.05 0.48 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.35 -0.844 . . . . 0.0 110.055 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -90.98 47.56 2.94 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.92 -155.48 0.57 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -1.104 . . . . 0.0 110.162 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.54 55.38 0.61 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.9 mt -140.92 110.31 6.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -1.118 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.3 pt -128.37 160.58 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.33 -0.856 . . . . 0.0 110.185 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 t -79.45 160.26 26.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 110.292 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.48 -32.32 49.63 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.422 -0.799 . . . . 0.0 110.494 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.96 65.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.385 -0.822 . . . . 0.0 109.97 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.9 mt-10 -63.19 -34.46 77.69 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.344 -0.848 . . . . 0.0 110.035 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.711 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -66.17 -39.36 89.69 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 0.0 110.139 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -67.36 -38.15 84.34 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.84 . . . . 0.0 110.132 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -69.47 -36.7 76.81 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.402 -0.811 . . . . 0.0 110.157 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 104' ' ' GLU . 80.3 t -67.27 -38.18 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.38 -0.825 . . . . 0.0 110.134 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.0 -37.97 78.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.412 -0.805 . . . . 0.0 110.067 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.5 m -80.03 -29.84 39.39 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.351 -0.843 . . . . 0.0 110.247 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -67.76 -42.68 81.38 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.327 -0.858 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.5 mt -62.24 -29.62 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.29 -0.881 . . . . 0.0 109.949 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.76 30.42 23.82 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.4 164.04 27.23 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.44 -1.035 . . . . 0.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 57.93 4.77 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.329 -0.857 . . . . 0.0 110.174 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.5 mt -131.1 105.63 7.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.409 -0.807 . . . . 0.0 110.174 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.0 p -65.24 -177.72 0.41 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.361 -0.837 . . . . 0.0 110.273 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.63 -34.19 75.31 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.393 -0.817 . . . . 0.0 110.194 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.389 -0.82 . . . . 0.0 110.185 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.53 -51.23 68.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.33 -0.856 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.3 t -61.77 -27.35 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.83 . . . . 0.0 109.9 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.55 -48.02 61.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.494 -0.754 . . . . 0.0 109.981 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.23 -29.19 70.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.381 -0.824 . . . . 0.0 110.029 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.712 ' HG2' HD13 ' A' ' 143' ' ' LEU . 3.3 mtp -79.16 -35.18 42.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.353 -0.842 . . . . 0.0 110.003 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.523 HD21 HD22 ' A' ' 105' ' ' LEU . 2.8 mt -63.23 -39.91 95.95 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.455 -0.778 . . . . 0.0 110.167 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -61.64 -40.41 94.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.299 -0.876 . . . . 0.0 110.154 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.22 -34.84 36.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.445 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 124' ' ' MET . 71.7 t -79.97 -29.48 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.337 -0.852 . . . . 0.0 110.266 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.7 t -61.21 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.343 -0.848 . . . . 0.0 110.18 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -110.19 -29.69 8.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.829 . . . . 0.0 110.16 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -75.04 -106.98 0.1 OUTLIER Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.4 t -164.81 -46.68 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.317 -1.108 . . . . 0.0 110.214 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.43 -72.2 0.51 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -81.95 142.25 32.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.426 -1.044 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.449 HD13 HD23 ' A' ' 125' ' ' LEU . 81.1 mt -105.97 148.93 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.369 -0.832 . . . . 0.0 110.082 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -82.3 120.27 25.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.448 -0.783 . . . . 0.0 110.214 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.649 HD13 ' HB3' ' A' ' 89' ' ' PHE . 7.3 pt -62.66 -17.78 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.259 -0.9 . . . . 0.0 110.431 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -57.38 -46.97 82.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 110.376 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.431 ' HB3' HG13 ' A' ' 128' ' ' VAL . 13.8 mt-30 -69.49 -50.55 44.21 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.885 . . . . 0.0 110.171 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.711 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.67 -37.27 83.46 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.346 -0.846 . . . . 0.0 110.039 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.04 98.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.085 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.15 93.72 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.358 -0.839 . . . . 0.0 110.09 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.712 HD13 ' HG2' ' A' ' 124' ' ' MET . 8.8 mt -63.77 -36.03 82.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.865 . . . . 0.0 110.148 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.3 mt -79.31 -47.97 14.92 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.416 -0.803 . . . . 0.0 110.275 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.1 p -61.45 -73.18 0.1 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.347 -0.846 . . . . 0.0 110.16 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.186 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.24 0.543 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.08 56.96 1.26 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 110.152 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -121.04 -169.75 1.89 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.411 -0.806 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.587 ' O ' HD11 ' A' ' 9' ' ' ILE . 6.4 mt -56.1 142.62 35.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.339 -0.85 . . . . 0.0 110.454 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 p -77.06 170.8 15.88 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.399 -0.813 . . . . 0.0 110.177 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.18 -40.07 92.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.31 -0.869 . . . . 0.0 110.232 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -62.21 -47.05 86.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.305 -0.872 . . . . 0.0 110.018 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.406 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 15.3 mm-40 -66.13 -44.97 82.67 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.441 -0.787 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.587 HD11 ' O ' ' A' ' 4' ' ' LEU . 72.8 mt -66.19 -29.82 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.406 -0.809 . . . . 0.0 109.95 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.8 83.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.802 . . . . 0.0 109.958 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -48.32 74.3 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.468 -0.77 . . . . 0.0 110.068 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.515 ' HZ ' HD13 ' A' ' 76' ' ' LEU . 25.4 m-85 -61.91 -37.3 84.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.365 -0.835 . . . . 0.0 110.024 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -60.51 -40.63 92.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.427 -0.796 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.51 -49.29 71.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.386 -0.821 . . . . 0.0 110.233 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.56 -33.69 71.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.334 -0.854 . . . . 0.0 110.31 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -71.22 -39.92 71.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.262 -0.899 . . . . 0.0 110.264 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.66 -28.48 64.82 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.433 -0.792 . . . . 0.0 110.262 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.3 -32.65 73.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.349 -0.845 . . . . 0.0 110.248 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -106.54 26.94 9.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.328 -0.857 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -120.55 145.69 47.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -68.17 -81.16 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.251 -0.906 . . . . 0.0 110.227 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -174.05 -64.12 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.139 -0.976 . . . . 0.0 110.215 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -61.85 -51.75 66.95 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.467 -0.77 . . . . 0.0 110.342 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -87.75 133.74 33.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.343 -0.848 . . . . 0.0 110.33 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.01 41.28 2.21 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.9 p -125.45 155.8 39.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.381 -1.07 . . . . 0.0 110.202 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.6 pt -126.72 158.05 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.388 -0.82 . . . . 0.0 110.171 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 m -81.81 159.93 23.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.247 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -40.04 93.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.352 -0.843 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -25.99 35.2 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.352 -0.843 . . . . 0.0 110.397 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.822 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.4 mt-10 -94.45 -17.23 22.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.339 -0.851 . . . . 0.0 110.448 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.66 -50.27 73.71 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.194 -0.941 . . . . 0.0 110.451 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.46 85.59 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.3 m -66.85 -38.79 87.04 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.389 -0.819 . . . . 0.0 110.064 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 31' ' ' GLU . 80.3 t -61.66 -38.27 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.387 -0.821 . . . . 0.0 109.933 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.2 mtt -68.47 -36.08 78.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.42 -0.8 . . . . 0.0 109.979 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -66.92 -32.12 73.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.458 -0.776 . . . . 0.0 110.051 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 m -79.47 -35.07 40.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.119 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.43 -26.31 67.91 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.261 -0.899 . . . . 0.0 110.096 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.47 34.78 0.98 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.4 mt -119.66 179.67 4.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.351 -1.088 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -167.52 68.18 0.87 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.37 -0.831 . . . . 0.0 110.252 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.46 138.49 27.17 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.741 1.39 . . . . 0.0 110.346 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -60.37 167.96 2.28 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.324 -0.86 . . . . 0.0 110.223 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.84 -26.89 64.6 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.289 -0.882 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.64 -41.13 65.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.408 -0.807 . . . . 0.0 110.161 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' HD13 ' A' ' 51' ' ' LEU . 4.1 mt-10 -65.38 -37.28 86.54 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.387 -0.82 . . . . 0.0 110.066 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.03 -45.47 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.414 -0.804 . . . . 0.0 109.913 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.98 -39.09 90.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.449 -0.782 . . . . 0.0 110.028 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -63.19 -46.16 88.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 47' ' ' GLU . 3.1 mp -61.96 -45.91 91.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.393 -0.817 . . . . 0.0 110.119 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.7 mtt -65.11 -29.13 69.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.377 -0.827 . . . . 0.0 109.902 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -65.33 -42.57 92.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.496 -0.753 . . . . 0.0 110.052 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -68.71 -44.95 72.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.385 -0.822 . . . . 0.0 109.801 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.42 HD13 HD11 ' A' ' 63' ' ' ILE . 12.8 mt -65.57 -61.04 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.489 -0.757 . . . . 0.0 109.772 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -64.91 87.07 0.06 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.383 -0.823 . . . . 0.0 110.211 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 55' ' ' ILE . 66.1 t -71.5 -68.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -0.839 . . . . 0.0 110.188 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -94.18 -58.43 2.23 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.341 -0.849 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -156.75 -47.27 0.01 OUTLIER Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -115.82 148.47 39.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.354 -1.086 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -167.76 110.28 0.62 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.837 . . . . 0.0 110.194 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -82.93 125.8 31.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.317 -0.864 . . . . 0.0 110.022 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.42 HD11 HD13 ' A' ' 55' ' ' ILE . 73.3 mt -79.99 116.46 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.28 -0.887 . . . . 0.0 110.294 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -85.07 160.24 20.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.366 -0.834 . . . . 0.0 110.032 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.681 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.8 t80 -56.34 -26.18 51.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.317 -0.865 . . . . 0.0 110.362 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -50.44 23.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -0.856 . . . . 0.0 109.991 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.57 -34.76 78.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.378 -0.826 . . . . 0.0 110.077 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.89 -51.68 60.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.124 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD11 ' CE2' ' A' ' 65' ' ' PHE . 42.2 mt -56.32 -38.18 70.95 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.351 -0.843 . . . . 0.0 110.115 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.83 73.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.954 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -62.61 -41.49 99.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.429 -0.795 . . . . 0.0 110.072 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.804 ' HE3' HD11 ' A' ' 76' ' ' LEU . 96.1 mmm -64.9 -30.6 71.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.092 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -44.85 76.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.417 -0.802 . . . . 0.0 110.2 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 3.4 ptm180 -61.24 -38.61 87.26 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 109.904 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 2.6 mt-30 -78.59 -47.48 17.1 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.493 -0.755 . . . . 0.0 110.112 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.804 HD11 ' HE3' ' A' ' 72' ' ' MET . 5.2 mt -80.53 73.99 7.43 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.416 -0.803 . . . . 0.0 110.035 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -129.89 -153.65 0.58 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.411 -0.806 . . . . 0.0 110.133 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.5 m 56.12 58.21 4.51 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.319 -0.863 . . . . 0.0 110.324 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -130.6 114.56 15.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.366 -0.834 . . . . 0.0 110.174 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.43 91.88 1.03 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 0.0 110.305 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.5 m -79.95 -36.17 36.6 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.859 . . . . 0.0 110.106 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 86' ' ' LEU . 16.8 pt-20 -58.46 -38.23 77.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.44 -0.788 . . . . 0.0 110.231 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.8 -39.44 94.26 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.075 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.46 -48.03 83.01 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.392 -0.817 . . . . 0.0 110.125 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -45.92 90.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.317 -0.864 . . . . 0.0 110.018 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 82' ' ' GLU . 16.2 mt -63.79 -27.91 69.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.322 -0.861 . . . . 0.0 110.02 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.58 -46.34 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.427 -0.795 . . . . 0.0 110.063 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.95 -48.19 82.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.367 -0.833 . . . . 0.0 110.133 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.731 ' HB3' HD13 ' A' ' 137' ' ' ILE . 12.2 m-85 -60.92 -28.57 69.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.399 -0.813 . . . . 0.0 110.132 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -70.59 -42.58 70.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.817 . . . . 0.0 110.051 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.42 -39.78 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.36 -0.838 . . . . 0.0 110.102 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.592 ' CD2' HG22 ' A' ' 108' ' ' VAL . 9.2 m-85 -67.02 -29.83 69.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.338 -0.851 . . . . 0.0 110.214 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -79.58 129.45 34.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.836 . . . . 0.0 110.194 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.42 -27.0 10.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.389 -0.819 . . . . 0.0 110.214 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.86 -33.76 72.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 0.0 110.242 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.01 35.74 6.25 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.654 ' HB3' HD12 ' A' ' 99' ' ' LEU . 2.6 m-20 -130.48 6.98 4.86 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.336 -1.096 . . . . 0.0 110.593 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 61.54 38.76 96.34 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.654 HD12 ' HB3' ' A' ' 97' ' ' ASP . 12.4 mt -128.72 113.81 15.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.419 -1.048 . . . . 0.0 110.23 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 pt -127.43 160.27 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m -79.7 160.45 26.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.85 . . . . 0.0 110.196 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.13 -35.08 33.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.44 -0.787 . . . . 0.0 110.56 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.6 85.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.368 -0.833 . . . . 0.0 110.004 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.834 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.6 mt-10 -64.51 -38.07 89.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.386 -0.821 . . . . 0.0 109.847 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.831 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.6 tp -61.24 -38.81 88.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 0.0 110.065 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -69.23 -40.64 77.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.421 -0.799 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -67.15 -27.4 67.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.4 -0.812 . . . . 0.0 110.187 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 104' ' ' GLU . 89.0 t -75.09 -47.17 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.347 -0.846 . . . . 0.0 110.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 105' ' ' LEU . 9.6 mt -63.2 -28.98 70.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.141 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.7 m -80.04 -31.87 39.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 0.0 110.214 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.96 -38.97 66.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.296 -0.877 . . . . 0.0 110.179 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.11 -26.78 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.36 -0.837 . . . . 0.0 110.082 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.32 31.03 32.07 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.26 161.73 30.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.377 -1.072 . . . . 0.0 110.263 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.7 60.58 5.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.845 . . . . 0.0 110.16 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 116' ' ' LEU . 81.6 mt -135.53 118.52 16.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.348 -0.845 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.4 p -81.78 -178.22 6.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 0.0 110.105 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -27.94 69.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.331 -0.856 . . . . 0.0 110.152 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.32 -43.97 84.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.331 -0.855 . . . . 0.0 110.078 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.63 -48.59 76.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.0 110.121 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.561 HG12 HD12 ' A' ' 125' ' ' LEU . 73.7 t -61.09 -30.83 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.372 -0.83 . . . . 0.0 109.901 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.24 -47.31 80.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.376 -0.827 . . . . 0.0 109.981 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.35 -30.33 71.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.377 -0.827 . . . . 0.0 109.892 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.542 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 1.1 ttp -80.13 -34.4 37.8 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.42 -0.8 . . . . 0.0 109.995 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.561 HD12 HG12 ' A' ' 121' ' ' VAL . 2.0 mt -64.04 -37.07 86.08 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.435 -0.791 . . . . 0.0 110.218 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -66.19 -31.18 71.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.366 -0.834 . . . . 0.0 110.226 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -80.05 -32.6 39.4 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.419 -0.8 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.631 HG12 HG23 ' A' ' 135' ' ' ILE . 62.9 t -90.46 -26.77 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.309 -0.87 . . . . 0.0 110.309 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.3 p -61.66 117.38 5.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.279 -0.888 . . . . 0.0 110.198 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.02 -29.1 11.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.431 -0.793 . . . . 0.0 110.19 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 110.68 39.56 1.43 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.97 -57.01 2.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.34 -1.094 . . . . 0.0 110.208 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 160.08 -50.06 0.38 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -114.21 152.13 31.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.438 -1.037 . . . . 0.0 110.184 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.631 HG23 HG12 ' A' ' 128' ' ' VAL . 80.8 mt -105.93 143.66 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 110.065 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.35 125.12 32.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.369 -0.832 . . . . 0.0 110.19 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.731 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.9 pt -64.75 -18.6 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.385 -0.822 . . . . 0.0 110.468 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -59.55 -41.94 91.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.115 -0.99 . . . . 0.0 110.198 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.72 -46.12 48.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.311 -0.868 . . . . 0.0 110.089 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.831 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.94 -45.42 85.87 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.372 -0.83 . . . . 0.0 110.018 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.32 -31.97 73.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.392 -0.817 . . . . 0.0 110.064 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.79 62.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.392 -0.817 . . . . 0.0 110.197 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.486 HD13 ' CG ' ' A' ' 124' ' ' MET . 5.3 mt -68.57 -35.98 78.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.184 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.91 -29.04 39.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 110.251 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.0 t -103.23 47.23 0.89 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.428 -0.795 . . . . 0.0 110.249 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 9.5 tttt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.164 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.2 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.172 0.511 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -162.28 124.11 2.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 0.0 110.21 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 52.87 -170.75 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.328 -0.857 . . . . 0.0 110.459 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.548 ' O ' HD11 ' A' ' 9' ' ' ILE . 7.0 mt -53.71 133.26 41.99 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.323 -0.861 . . . . 0.0 110.433 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -72.03 172.19 10.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.365 -0.835 . . . . 0.0 110.078 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.16 -34.15 75.86 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 110.168 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.9 -46.06 76.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.076 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.51 -42.99 86.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.325 -0.86 . . . . 0.0 110.096 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.548 HD11 ' O ' ' A' ' 4' ' ' LEU . 76.2 mt -66.1 -33.41 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.447 -0.783 . . . . 0.0 109.909 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -33.44 74.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.364 -0.835 . . . . 0.0 109.944 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -68.0 -49.21 62.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.854 . . . . 0.0 110.077 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' HE2' HD22 ' A' ' 4' ' ' LEU . 27.2 m-85 -61.52 -36.09 79.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.333 -0.854 . . . . 0.0 110.028 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 13.5 ttmt -62.22 -42.01 98.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.348 -0.845 . . . . 0.0 110.185 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.95 -51.91 66.17 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -0.886 . . . . 0.0 110.135 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.86 85.46 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.324 -0.86 . . . . 0.0 110.157 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -67.13 -40.05 86.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.323 -0.861 . . . . 0.0 110.276 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.64 -27.75 65.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.364 -0.835 . . . . 0.0 110.221 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -63.34 -34.69 78.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.229 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 27' ' ' ILE . 85.3 m-85 -107.36 27.98 8.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.29 -0.881 . . . . 0.0 110.217 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -125.52 98.06 5.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.397 -0.814 . . . . 0.0 110.155 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -115.22 58.91 0.71 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.404 -0.81 . . . . 0.0 110.203 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -138.63 12.9 2.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.35 -0.843 . . . . 0.0 110.538 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 51.48 54.5 10.96 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.156 -0.965 . . . . 0.0 110.652 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -158.44 -60.61 0.08 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.321 -0.862 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.26 56.17 0.15 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -149.64 140.57 22.85 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.372 -1.075 . . . . 0.0 110.198 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 19' ' ' PHE . 40.1 pt -128.1 157.5 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.399 -0.813 . . . . 0.0 110.231 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.86 160.17 18.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.425 -0.797 . . . . 0.0 110.32 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -36.32 72.28 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.366 -0.834 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -57.02 -27.18 61.4 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.385 -0.822 . . . . 0.0 110.333 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 35' ' ' VAL . 23.3 mt-10 -98.78 -17.98 18.2 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.31 -0.868 . . . . 0.0 110.358 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.663 HD22 ' CD1' ' A' ' 63' ' ' ILE . 44.9 tp -57.17 -48.48 78.63 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.321 -0.862 . . . . 0.0 110.375 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.24 80.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.311 -0.868 . . . . 0.0 110.205 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.8 m -68.14 -37.87 81.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.9 t -61.33 -36.05 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.36 -0.837 . . . . 0.0 109.91 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.8 mtt -73.62 -37.5 65.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.865 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.35 -30.39 70.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.421 -0.799 . . . . 0.0 110.115 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -33.87 38.94 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.379 -0.825 . . . . 0.0 110.16 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.29 -27.96 66.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.343 -0.848 . . . . 0.0 110.215 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.96 39.86 0.4 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -126.33 177.81 6.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.291 -1.123 . . . . 0.0 110.095 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p -167.47 67.22 0.84 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.389 -0.82 . . . . 0.0 110.189 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.5 137.56 25.57 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 O-C-N 123.857 1.451 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.2 m -66.29 174.43 2.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.294 -0.879 . . . . 0.0 110.133 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -59.49 -28.49 67.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.278 -0.889 . . . . 0.0 110.11 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.68 69.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.372 -0.83 . . . . 0.0 110.021 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -68.64 -36.11 78.17 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.094 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 44' ' ' SER . 60.6 t -68.04 -39.4 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.366 -0.834 . . . . 0.0 109.936 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -63.84 -40.01 95.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.432 -0.792 . . . . 0.0 109.969 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.48 -47.06 87.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.378 -0.826 . . . . 0.0 110.056 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 55' ' ' ILE . 20.6 mt -63.31 -46.87 84.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.337 -0.852 . . . . 0.0 109.999 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.2 mtt -66.85 -28.28 68.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.398 -0.814 . . . . 0.0 109.917 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -67.02 -36.21 81.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.433 -0.792 . . . . 0.0 109.935 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -79.39 -30.36 42.42 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.445 -0.784 . . . . 0.0 109.95 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 57' ' ' VAL . 10.6 mt -88.51 -64.41 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.47 -0.769 . . . . 0.0 109.944 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -60.94 108.62 0.89 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.343 -0.848 . . . . 0.0 110.267 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 55' ' ' ILE . 64.8 t -100.15 -50.77 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.831 . . . . 0.0 110.202 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -113.51 26.81 10.08 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.376 -0.827 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.46 -34.12 5.36 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -121.02 136.09 55.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.283 -1.128 . . . . 0.0 110.3 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -168.02 126.35 1.2 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 110.134 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -96.7 120.53 37.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.466 -0.771 . . . . 0.0 110.044 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.663 ' CD1' HD22 ' A' ' 32' ' ' LEU . 84.0 mt -80.05 133.63 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.388 -0.82 . . . . 0.0 110.199 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.49 160.16 14.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.417 -0.802 . . . . 0.0 110.029 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.716 ' CE2' HD11 ' A' ' 69' ' ' LEU . 17.6 t80 -56.97 -36.36 70.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.873 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.3 p -62.54 -55.86 23.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.399 -0.813 . . . . 0.0 110.011 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.49 -29.4 70.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 0.0 110.044 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -68.66 -47.62 66.05 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.306 -0.871 . . . . 0.0 110.06 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.716 HD11 ' CE2' ' A' ' 65' ' ' PHE . 42.2 mt -59.56 -37.76 79.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.425 -0.797 . . . . 0.0 110.001 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.37 -45.34 76.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.407 -0.808 . . . . 0.0 110.014 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.19 -42.11 98.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.395 -0.816 . . . . 0.0 110.037 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.547 ' O ' HD12 ' A' ' 76' ' ' LEU . 93.4 mmm -62.05 -39.41 92.28 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.386 -0.822 . . . . 0.0 110.028 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -41.84 96.2 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.389 -0.82 . . . . 0.0 110.057 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -67.48 -31.08 70.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.338 -0.851 . . . . 0.0 110.048 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -79.32 -45.08 20.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.387 -0.82 . . . . 0.0 110.042 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 72' ' ' MET . 8.1 mt -61.33 -28.0 68.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.369 -0.832 . . . . 0.0 110.117 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 113.6 25.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 0.0 110.007 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.7 p -63.15 -74.33 0.1 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.326 -0.859 . . . . 0.0 110.263 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -168.01 119.33 0.83 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.362 -0.836 . . . . 0.0 110.219 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -150.37 71.13 1.05 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -0.855 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.6 t -69.34 -22.26 63.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.383 -0.823 . . . . 0.0 110.239 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' HG2' HD11 ' A' ' 86' ' ' LEU . 39.6 tt0 -58.1 -50.69 72.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.366 -0.834 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -51.88 -43.9 63.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.43 -0.794 . . . . 0.0 110.471 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.94 -43.31 96.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.353 -0.842 . . . . 0.0 110.07 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -37.09 83.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.334 -0.854 . . . . 0.0 110.119 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.401 HD11 ' HG2' ' A' ' 82' ' ' GLU . 77.8 mt -63.25 -32.97 74.52 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.408 -0.808 . . . . 0.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.35 -46.37 55.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.392 -0.817 . . . . 0.0 110.136 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.3 93.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 110.202 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.658 ' CE1' HG11 ' A' ' 108' ' ' VAL . 9.6 m-85 -61.95 -35.65 79.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.341 -0.85 . . . . 0.0 110.175 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -62.96 -43.2 99.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 110.186 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.64 -32.15 56.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.411 -0.805 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.445 ' CD2' HG22 ' A' ' 108' ' ' VAL . 6.7 m-85 -73.46 -28.0 61.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.402 -0.811 . . . . 0.0 110.141 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' ASN . 11.6 t70 -74.36 -29.66 61.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.361 -0.837 . . . . 0.0 110.2 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.15 -69.94 0.09 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.506 -0.746 . . . . 0.0 110.522 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' ASP . 24.1 t-20 -53.58 -37.98 63.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.187 -0.945 . . . . 0.0 110.417 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.55 43.06 4.35 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.46 -28.39 11.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.341 -1.094 . . . . 0.0 110.161 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.86 32.98 7.25 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 134' ' ' GLU . 6.5 mt -143.52 134.03 24.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.42 -1.047 . . . . 0.0 110.153 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.405 HG23 ' C ' ' A' ' 99' ' ' LEU . 46.7 pt -146.34 160.22 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.406 -0.809 . . . . 0.0 110.253 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.9 m -79.78 160.36 26.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.385 -0.822 . . . . 0.0 110.189 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.24 -27.42 14.8 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.37 -0.831 . . . . 0.0 110.428 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.83 39.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.366 -0.834 . . . . 0.0 110.032 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.9 mt-10 -62.96 -37.5 87.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 109.93 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.78 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -66.26 -39.25 89.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.382 -0.824 . . . . 0.0 110.086 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -65.47 -39.9 92.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.333 -0.855 . . . . 0.0 110.096 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -67.4 -31.83 72.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.326 -0.859 . . . . 0.0 110.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 104' ' ' GLU . 68.0 t -70.78 -42.98 77.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.368 -0.833 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -29.96 70.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.414 -0.803 . . . . 0.0 110.166 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.7 m -78.47 -43.19 27.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.267 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -44.03 97.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.332 -0.855 . . . . 0.0 110.176 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.31 -25.18 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.4 -0.812 . . . . 0.0 110.173 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.49 36.73 58.82 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 169.79 1.44 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.406 -1.055 . . . . 0.0 110.235 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 47.61 1.35 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.355 -0.841 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.481 HD11 HD22 ' A' ' 144' ' ' LEU . 84.6 mt -124.77 159.3 31.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.417 -0.802 . . . . 0.0 110.228 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 12.8 p -122.73 -171.73 2.34 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.364 -0.835 . . . . 0.0 110.186 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.04 -37.47 85.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.402 -0.811 . . . . 0.0 110.128 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.32 99.09 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.322 -0.861 . . . . 0.0 110.099 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.454 ' HB3' HD22 ' A' ' 116' ' ' LEU . 7.0 mm-40 -66.83 -49.45 65.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.391 -0.818 . . . . 0.0 110.064 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -65.06 -28.93 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.364 -0.835 . . . . 0.0 109.998 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.56 -41.92 75.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.349 -0.844 . . . . 0.0 109.97 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.61 -30.82 67.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.855 . . . . 0.0 109.949 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.484 ' O ' HG23 ' A' ' 128' ' ' VAL . 4.5 mtp -75.71 -38.41 58.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 110.053 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.69 -35.27 79.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.353 -0.842 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -67.09 -42.13 85.13 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.368 -0.832 . . . . 0.0 110.136 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -29.98 38.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.351 -0.843 . . . . 0.0 110.215 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 124' ' ' MET . 85.7 t -89.75 -62.15 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.369 -0.832 . . . . 0.0 110.166 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.01 97.49 0.17 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.223 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -163.72 30.16 0.08 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.446 -0.784 . . . . 0.0 110.204 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -122.89 -89.31 0.92 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.2 m -116.56 -35.87 4.12 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.35 -1.088 . . . . 0.0 110.234 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 150.29 -37.37 0.92 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.518 ' HB3' HD22 ' A' ' 99' ' ' LEU . 7.1 mm-40 -82.08 113.7 20.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.414 -1.051 . . . . 0.0 110.187 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 84.8 mt -91.14 141.29 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.121 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -86.33 138.49 31.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -0.847 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 89' ' ' PHE . 18.1 pt -67.58 -21.3 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.445 -0.785 . . . . 0.0 110.411 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -59.92 -52.83 63.76 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.211 -0.93 . . . . 0.0 110.291 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -63.29 -49.88 72.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.339 -0.851 . . . . 0.0 110.204 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.78 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -60.91 -45.82 93.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.339 -0.851 . . . . 0.0 110.176 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.75 71.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.857 . . . . 0.0 110.16 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.02 -32.71 39.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.322 -0.861 . . . . 0.0 110.125 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.38 -40.11 95.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.348 -0.845 . . . . 0.0 110.159 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 116' ' ' LEU . 88.1 mt -74.03 -67.8 0.58 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.42 -0.8 . . . . 0.0 110.097 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.8 t 53.81 -88.8 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.41 -0.806 . . . . 0.0 110.677 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.017 -1.052 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.254 0.55 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.97 43.36 0.05 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.341 -0.85 . . . . 0.0 110.243 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.62 105.91 0.6 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.387 -0.821 . . . . 0.0 110.154 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.629 ' O ' HD11 ' A' ' 9' ' ' ILE . 23.2 mt -63.25 125.97 25.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.391 -0.818 . . . . 0.0 110.219 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.419 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -69.14 161.57 28.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.793 . . . . 0.0 110.265 179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -52.42 -50.17 63.09 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.709 0.766 . . . . 0.0 109.785 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 14.1 pt-20 -54.38 -42.65 70.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.724 -0.61 . . . . 0.0 110.594 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 64.7 mt-30 -70.45 -42.71 71.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 109.982 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.629 HD11 ' O ' ' A' ' 4' ' ' LEU . 72.1 mt -66.15 -29.47 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.419 -0.801 . . . . 0.0 109.854 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.36 -39.23 71.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.415 -0.803 . . . . 0.0 109.988 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -63.54 -47.3 82.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.424 -0.797 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.454 ' HE2' HD22 ' A' ' 4' ' ' LEU . 26.4 m-85 -61.11 -39.62 90.68 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.381 -0.824 . . . . 0.0 110.089 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -59.09 -40.47 85.37 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.425 -0.797 . . . . 0.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -62.3 -51.54 67.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.423 -0.798 . . . . 0.0 110.038 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -25.67 63.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.885 . . . . 0.0 110.154 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' CE1' HG23 ' A' ' 27' ' ' ILE . 18.9 t80 -78.64 -33.25 47.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.332 -0.855 . . . . 0.0 110.161 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.76 -28.53 55.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.386 -0.821 . . . . 0.0 110.248 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.38 -28.09 69.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.197 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -114.91 32.82 5.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.367 -0.833 . . . . 0.0 110.153 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -118.81 167.16 11.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.384 -0.823 . . . . 0.0 110.115 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -87.51 5.94 36.66 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.505 -0.747 . . . . 0.0 110.632 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 52.7 40.22 29.91 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.106 -0.996 . . . . 0.0 110.415 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -132.67 -47.46 0.88 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.41 -0.806 . . . . 0.0 110.192 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -118.59 -44.24 2.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.398 -0.814 . . . . 0.0 110.174 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.07 46.2 0.56 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -139.26 149.64 44.53 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.307 -1.114 . . . . 0.0 110.151 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.405 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.7 pt -125.36 159.48 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.369 -0.832 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -81.51 157.0 25.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.373 -0.83 . . . . 0.0 110.173 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -62.26 -29.14 70.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.307 -0.87 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -62.75 -33.83 75.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.412 -0.805 . . . . 0.0 110.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.784 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.7 mt-10 -86.23 -17.19 35.44 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.348 -0.845 . . . . 0.0 110.375 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -53.47 -50.33 65.54 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.909 . . . . 0.0 110.37 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.78 84.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.326 -0.859 . . . . 0.0 110.098 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.6 m -68.48 -37.13 79.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.0 110.021 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 31' ' ' GLU . 65.9 t -62.42 -37.96 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.296 -0.878 . . . . 0.0 109.925 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.6 mtt -70.52 -35.89 73.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 109.947 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -65.67 -37.93 87.89 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.498 -0.751 . . . . 0.0 110.142 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -79.97 -28.75 39.54 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.108 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.2 mt -72.13 -23.56 61.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.358 -0.839 . . . . 0.0 110.313 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.97 33.53 1.14 Allowed Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.6 mt -124.2 172.24 9.21 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -1.131 . . . . 0.0 110.152 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -163.55 63.89 1.27 Allowed Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.346 -0.846 . . . . 0.0 110.215 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.36 138.06 26.74 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.81 1.426 . . . . 0.0 110.423 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -61.13 170.75 1.52 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.37 -0.831 . . . . 0.0 110.039 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -27.97 68.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.359 -0.838 . . . . 0.0 110.107 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.03 79.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.441 -0.787 . . . . 0.0 110.041 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -67.1 -38.84 86.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.832 . . . . 0.0 109.974 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 44' ' ' SER . 57.7 t -66.23 -38.3 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.386 -0.821 . . . . 0.0 109.91 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -34.15 77.38 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.381 -0.824 . . . . 0.0 109.974 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.25 -47.7 72.9 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.365 -0.834 . . . . 0.0 110.048 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.49 -39.9 95.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.374 -0.829 . . . . 0.0 109.978 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mtt -69.63 -27.64 65.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.426 -0.796 . . . . 0.0 109.993 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.43 -40.01 77.51 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.515 -0.74 . . . . 0.0 110.036 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -74.5 -30.96 62.01 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.371 -0.83 . . . . 0.0 109.86 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 57' ' ' VAL . 37.5 mt -81.37 -60.84 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.411 -0.806 . . . . 0.0 109.884 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -60.37 104.48 0.33 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.399 -0.813 . . . . 0.0 110.238 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 55' ' ' ILE . 64.0 t -97.2 -65.73 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.384 -0.822 . . . . 0.0 110.138 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.79 29.83 3.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.398 -0.814 . . . . 0.0 110.202 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.02 -59.89 0.63 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -102.94 137.3 41.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.422 -1.046 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -161.6 124.26 3.05 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.416 -0.802 . . . . 0.0 110.164 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -92.22 127.43 37.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.292 -0.88 . . . . 0.0 109.949 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.4 mt -79.86 124.6 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.226 -0.921 . . . . 0.0 110.189 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -87.68 160.11 18.25 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.326 -0.858 . . . . 0.0 110.148 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.722 ' CE2' HD11 ' A' ' 69' ' ' LEU . 15.7 t80 -58.3 -24.65 60.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.39 -0.819 . . . . 0.0 110.395 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.7 t -73.73 -51.27 17.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 71' ' ' LEU . 9.7 mm-40 -65.89 -30.53 71.15 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.222 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -69.67 -47.97 61.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.374 -0.829 . . . . 0.0 110.123 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.722 HD11 ' CE2' ' A' ' 65' ' ' PHE . 49.2 mt -60.06 -36.08 76.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.203 -0.936 . . . . 0.0 110.09 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.52 -47.42 48.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 0.0 110.089 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 67' ' ' GLU . 13.4 mt -60.94 -34.33 74.55 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.4 -0.813 . . . . 0.0 110.08 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.0 mmm -70.62 -36.44 73.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.83 . . . . 0.0 110.072 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -37.69 88.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.402 -0.811 . . . . 0.0 110.145 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.92 -28.33 57.97 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.376 -0.828 . . . . 0.0 110.259 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -89.34 -27.51 20.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.389 -0.82 . . . . 0.0 110.243 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.8 mt -74.7 -17.49 60.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.371 -0.831 . . . . 0.0 110.458 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.89 19.34 7.79 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.21 -0.931 . . . . 0.0 110.527 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -114.56 -26.23 7.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.253 -0.904 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -62.73 123.32 18.12 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.355 -0.84 . . . . 0.0 110.242 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.09 62.25 2.8 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.313 -0.867 . . . . 0.0 110.458 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.15 -27.01 63.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.318 -0.864 . . . . 0.0 110.234 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.15 -50.78 72.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.339 -0.851 . . . . 0.0 110.185 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.552 ' HA ' HD12 ' A' ' 86' ' ' LEU . 1.8 mm-40 -52.65 -42.06 64.35 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.324 -0.86 . . . . 0.0 110.401 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.355 -0.841 . . . . 0.0 110.148 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.82 -37.91 87.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.477 -0.765 . . . . 0.0 110.16 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 83' ' ' GLN . 36.8 mt -63.06 -36.3 83.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.383 -0.823 . . . . 0.0 110.218 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -67.4 -46.78 72.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.433 -0.792 . . . . 0.0 110.158 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.05 99.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.364 -0.835 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CD1' HG22 ' A' ' 137' ' ' ILE . 3.3 m-85 -61.02 -37.34 82.23 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.285 -0.885 . . . . 0.0 110.218 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -65.64 -40.49 92.56 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.353 -0.842 . . . . 0.0 110.173 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.27 -31.21 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.299 -0.876 . . . . 0.0 110.115 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CE2' HG22 ' A' ' 108' ' ' VAL . 6.3 m-85 -76.64 -27.61 55.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.329 -0.857 . . . . 0.0 110.232 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.26 162.71 25.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.412 -0.805 . . . . 0.0 110.152 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 96' ' ' GLY . 4.5 tptt -114.54 146.21 41.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.375 -0.828 . . . . 0.0 110.183 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 65.51 -68.3 0.12 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.491 -0.756 . . . . 0.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 148.8 61.05 0.01 OUTLIER Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -108.0 -28.26 9.67 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -1.042 . . . . 0.0 110.237 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.33 29.88 59.48 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.6 mt -130.96 108.06 9.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.376 -1.073 . . . . 0.0 110.16 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 pt -116.89 160.22 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.327 -0.858 . . . . 0.0 110.174 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 m -79.79 160.22 26.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.841 . . . . 0.0 110.22 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.35 -33.01 51.83 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.374 -0.829 . . . . 0.0 110.451 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.06 -53.27 52.4 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.261 -0.899 . . . . 0.0 110.099 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.775 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.2 mt-10 -60.53 -29.23 68.99 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.373 -0.83 . . . . 0.0 110.095 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.804 HD22 HD21 ' A' ' 125' ' ' LEU . 1.3 tp -67.18 -44.85 78.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.419 -0.801 . . . . 0.0 110.188 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -65.65 -40.6 92.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.426 -0.796 . . . . 0.0 110.16 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -63.22 -31.49 72.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.381 -0.824 . . . . 0.0 110.232 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 104' ' ' GLU . 72.5 t -77.76 -44.74 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.337 -0.852 . . . . 0.0 110.125 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -28.96 66.16 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.394 -0.816 . . . . 0.0 110.225 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.5 m -80.27 -37.1 33.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.329 -0.857 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.6 m -62.45 -40.13 95.6 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.403 -0.811 . . . . 0.0 110.175 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 63.1 mt -64.24 -27.12 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.347 -0.846 . . . . 0.0 110.103 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.84 32.83 52.64 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.69 -178.86 0.6 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.339 -1.095 . . . . 0.0 110.136 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.0 37.04 1.7 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.362 -0.836 . . . . 0.0 110.214 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.716 HD11 HD22 ' A' ' 144' ' ' LEU . 6.6 mt -101.65 101.36 11.87 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.4 p -61.14 177.25 0.36 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.369 -0.832 . . . . 0.0 110.143 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.91 -29.84 69.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.365 -0.834 . . . . 0.0 110.172 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.58 89.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.376 -0.827 . . . . 0.0 110.299 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.625 ' OE1' HD23 ' A' ' 116' ' ' LEU . 30.5 mt-10 -61.6 -47.74 84.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.4 -0.813 . . . . 0.0 110.228 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 125' ' ' LEU . 60.9 t -63.28 -31.97 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.388 -0.82 . . . . 0.0 110.126 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -43.34 78.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.38 -0.825 . . . . 0.0 110.166 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.63 -28.26 63.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.204 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.47 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 2.8 mtp -79.94 -29.99 39.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.377 -0.827 . . . . 0.0 110.158 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.804 HD21 HD22 ' A' ' 105' ' ' LEU . 22.7 mt -73.76 -39.53 64.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 110.26 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -65.73 -30.84 71.56 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.352 -0.843 . . . . 0.0 110.164 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.98 -32.79 39.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.149 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.779 ' CG1' HG23 ' A' ' 135' ' ' ILE . 61.5 t -94.06 -59.88 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.353 -0.842 . . . . 0.0 110.101 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 t -61.87 120.6 11.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.329 -0.857 . . . . 0.0 110.189 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -160.72 65.83 0.31 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.419 -0.801 . . . . 0.0 110.199 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 179.34 -91.43 0.08 OUTLIER Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.1 t -110.24 -26.59 9.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -1.11 . . . . 0.0 110.291 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 132.62 -8.31 5.26 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -79.77 103.17 9.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.186 -1.185 . . . . 0.0 110.212 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.779 HG23 ' CG1' ' A' ' 128' ' ' VAL . 13.7 mt -95.1 150.33 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.341 -0.849 . . . . 0.0 110.13 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.63 146.07 25.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.336 -0.852 . . . . 0.0 110.135 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.571 HG22 ' CD1' ' A' ' 89' ' ' PHE . 3.0 pt -78.73 -18.27 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -0.832 . . . . 0.0 110.505 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -71.51 -49.74 38.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.268 -0.895 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -62.3 -45.7 92.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 110.206 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.757 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -65.84 -41.72 91.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.37 -0.831 . . . . 0.0 110.119 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.99 -29.34 70.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.383 -0.823 . . . . 0.0 110.132 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.71 -33.92 52.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 110.07 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.61 -35.24 79.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.403 -0.811 . . . . 0.0 110.099 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 116' ' ' LEU . 89.0 mt -72.38 -29.04 63.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 110.216 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m -116.82 -76.34 0.57 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.355 -0.84 . . . . 0.0 110.222 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.172 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.203 0.525 . . . . 0.0 110.198 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -95.53 60.03 2.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.392 -0.818 . . . . 0.0 110.185 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -113.77 90.44 3.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.324 -0.86 . . . . 0.0 110.096 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.567 HD22 ' HE2' ' A' ' 12' ' ' PHE . 30.3 mt -77.23 132.24 38.62 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.365 -0.835 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 p -89.7 179.96 5.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.424 -0.798 . . . . 0.0 109.989 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -61.22 -36.69 80.63 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.354 -0.841 . . . . 0.0 110.15 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.4 -48.69 74.45 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 109.916 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -65.6 -44.98 84.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.377 -0.827 . . . . 0.0 109.93 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.95 -29.74 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.384 -0.823 . . . . 0.0 109.824 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.25 85.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 0.0 109.907 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.51 -50.39 72.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.435 -0.79 . . . . 0.0 109.979 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.567 ' HE2' HD22 ' A' ' 4' ' ' LEU . 26.3 m-85 -58.6 -37.61 76.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.341 -0.85 . . . . 0.0 110.101 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 12.2 ttmt -63.53 -37.68 88.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.429 -0.794 . . . . 0.0 110.184 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -61.9 -53.54 54.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.344 -0.848 . . . . 0.0 110.153 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.44 -33.83 75.96 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.336 -0.852 . . . . 0.0 110.068 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.5 -35.52 75.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.349 -0.844 . . . . 0.0 110.193 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.43 -27.39 60.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.351 -0.843 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.5 -46.6 86.37 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -87.48 -26.65 23.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.393 -0.817 . . . . 0.0 110.201 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -81.92 100.13 9.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 0.0 110.155 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -81.57 -64.29 1.22 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.847 . . . . 0.0 110.2 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -143.98 47.21 1.43 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.386 -0.821 . . . . 0.0 110.207 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -105.02 39.42 1.71 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.372 -0.83 . . . . 0.0 110.226 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m120 51.71 37.03 19.11 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.352 -0.843 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.06 48.32 15.99 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -144.73 144.59 31.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -1.088 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.0 pt -126.21 155.53 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.427 -0.796 . . . . 0.0 110.169 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -81.01 160.1 24.66 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.401 -0.812 . . . . 0.0 110.277 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -38.25 82.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.401 -0.812 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -25.58 42.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.387 -0.821 . . . . 0.0 110.431 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.765 ' O ' HG23 ' A' ' 35' ' ' VAL . 21.5 mt-10 -97.27 -17.66 19.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.331 -0.856 . . . . 0.0 110.374 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.544 HD22 ' CD1' ' A' ' 63' ' ' ILE . 53.4 tp -56.56 -51.41 68.7 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.282 -0.886 . . . . 0.0 110.449 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.79 -37.97 77.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.327 -0.858 . . . . 0.0 110.122 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.5 m -67.28 -38.32 84.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -0.83 . . . . 0.0 109.887 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 31' ' ' GLU . 99.6 t -59.75 -40.77 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.384 -0.823 . . . . 0.0 109.914 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.3 mtt -67.97 -35.75 78.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.389 -0.819 . . . . 0.0 109.824 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -68.07 -37.58 81.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.401 -0.812 . . . . 0.0 110.195 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.3 m -78.45 -33.06 48.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.89 . . . . 0.0 110.203 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.523 HD13 ' HE1' ' A' ' 72' ' ' MET . 4.9 mt -69.29 -27.22 65.22 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.386 -0.821 . . . . 0.0 110.209 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.17 33.91 1.19 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -117.69 176.09 5.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.343 -1.092 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 m -164.97 70.55 1.42 Allowed Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.385 -0.822 . . . . 0.0 109.954 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.9 140.27 34.76 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.749 1.394 . . . . 0.0 110.432 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -58.16 161.69 4.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.315 -0.865 . . . . 0.0 110.135 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -57.17 -27.96 62.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.31 -0.869 . . . . 0.0 110.03 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.93 -38.1 66.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 109.915 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.01 -36.91 84.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.351 -0.843 . . . . 0.0 109.92 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.31 -48.1 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.44 -0.788 . . . . 0.0 109.93 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -62.76 -41.63 99.31 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.402 -0.811 . . . . 0.0 109.968 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.59 -42.34 95.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.41 -0.806 . . . . 0.0 110.019 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 55' ' ' ILE . 41.8 mt -63.19 -43.2 98.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 109.857 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 mtt -67.91 -28.75 67.77 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.455 -0.778 . . . . 0.0 109.9 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -39.46 87.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.484 -0.76 . . . . 0.0 110.001 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -73.45 -31.29 63.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.413 -0.805 . . . . 0.0 109.793 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 57' ' ' VAL . 13.6 mt -85.55 -61.49 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.546 -0.721 . . . . 0.0 109.809 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -61.39 108.94 1.02 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.84 . . . . 0.0 110.197 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 55' ' ' ILE . 85.0 t -108.98 -64.28 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.417 -0.802 . . . . 0.0 110.203 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -90.14 -35.66 15.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.297 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 169.11 -82.49 0.09 OUTLIER Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -90.34 92.83 9.08 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.363 -1.081 . . . . 0.0 110.302 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -103.69 127.92 51.1 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.297 -0.877 . . . . 0.0 110.05 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -95.3 123.32 38.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.448 -0.782 . . . . 0.0 110.06 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.544 ' CD1' HD22 ' A' ' 32' ' ' LEU . 75.1 mt -79.82 126.29 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.356 -0.84 . . . . 0.0 110.175 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -88.09 160.12 17.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.424 -0.797 . . . . 0.0 110.134 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.703 ' CE2' HD11 ' A' ' 69' ' ' LEU . 19.8 t80 -57.13 -26.04 59.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.36 -0.837 . . . . 0.0 110.334 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.5 p -71.8 -54.86 8.83 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.336 -0.852 . . . . 0.0 110.05 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -63.32 -30.44 71.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.385 -0.822 . . . . 0.0 110.252 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -70.16 -44.96 67.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 110.081 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.703 HD11 ' CE2' ' A' ' 65' ' ' PHE . 45.9 mt -60.24 -38.03 82.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 110.041 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.83 -49.86 54.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.393 -0.817 . . . . 0.0 110.014 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.02 -38.58 83.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.341 -0.849 . . . . 0.0 110.082 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.579 ' HE3' HD11 ' A' ' 76' ' ' LEU . 84.2 mmm -63.22 -40.32 97.12 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.329 -0.857 . . . . 0.0 110.165 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.46 ' OG ' HD11 ' A' ' 4' ' ' LEU . 4.1 m -60.74 -45.53 93.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.31 -0.869 . . . . 0.0 110.207 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 mtt85 -64.42 -28.53 69.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.32 -0.862 . . . . 0.0 110.067 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -89.98 -20.55 23.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.377 -0.827 . . . . 0.0 110.471 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.579 HD11 ' HE3' ' A' ' 72' ' ' MET . 20.8 mt -91.41 15.74 11.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.241 -0.912 . . . . 0.0 110.58 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -168.43 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.163 -0.96 . . . . 0.0 110.301 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -94.41 -155.65 0.47 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.451 -0.781 . . . . 0.0 110.207 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 52.51 93.53 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.398 -0.814 . . . . 0.0 110.461 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.28 106.91 17.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.346 -0.846 . . . . 0.0 110.184 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.2 m -74.29 -11.4 60.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.358 -0.838 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.97 -58.94 6.34 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.226 -0.921 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -59.75 -24.71 64.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.306 -0.871 . . . . 0.0 110.231 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.28 -41.01 70.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.0 110.143 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -43.27 74.8 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -0.885 . . . . 0.0 110.141 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 mt -66.54 -28.93 68.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.046 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -43.43 71.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.375 -0.828 . . . . 0.0 110.175 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.09 -48.81 77.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.26 -0.9 . . . . 0.0 110.222 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.711 ' HB3' HD13 ' A' ' 137' ' ' ILE . 17.4 m-85 -62.32 -28.72 69.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.431 -0.793 . . . . 0.0 110.198 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -67.36 -45.69 75.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.365 -0.834 . . . . 0.0 110.134 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.07 -38.0 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -0.824 . . . . 0.0 110.063 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.441 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 9.5 m-85 -70.22 -26.63 63.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.396 -0.815 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -80.97 137.7 36.09 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 110.226 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -73.61 -29.5 62.42 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 0.0 110.208 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -110.54 -177.35 3.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.839 . . . . 0.0 110.258 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.51 35.74 4.86 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -104.44 -34.98 8.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.38 -1.07 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.41 53.01 0.84 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mt -134.41 99.65 4.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.416 -1.049 . . . . 0.0 110.211 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.433 HD11 HD12 ' A' ' 105' ' ' LEU . 42.5 pt -117.98 160.27 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.376 -0.827 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.7 t -79.69 160.17 26.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.341 -0.85 . . . . 0.0 110.232 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.45 -34.12 60.86 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.377 -0.827 . . . . 0.0 110.476 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -59.52 5.26 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.293 -0.879 . . . . 0.0 110.091 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.752 ' O ' HG23 ' A' ' 108' ' ' VAL . 10.2 mt-10 -58.6 -26.9 64.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.411 -0.806 . . . . 0.0 110.114 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.742 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 4.0 tp -68.47 -44.73 74.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.402 -0.811 . . . . 0.0 110.04 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -65.93 -37.12 85.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 109.955 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -66.29 -31.49 72.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.436 -0.79 . . . . 0.0 110.145 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 104' ' ' GLU . 65.1 t -78.84 -42.63 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.427 -0.795 . . . . 0.0 110.156 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -33.4 74.48 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.417 -0.802 . . . . 0.0 110.216 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 m -79.98 -34.62 38.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.325 -0.86 . . . . 0.0 110.317 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.9 t -65.88 -44.26 85.85 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.295 -0.878 . . . . 0.0 110.146 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.99 -24.72 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.313 -0.867 . . . . 0.0 110.13 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.17 31.46 57.41 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.51 166.18 4.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.42 -1.047 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 59.52 5.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.368 -0.833 . . . . 0.0 110.212 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.6 mt -136.52 142.38 43.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.847 . . . . 0.0 110.205 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.4 p -100.71 174.83 5.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.313 -0.867 . . . . 0.0 110.206 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.26 -37.0 74.09 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.376 -0.828 . . . . 0.0 110.204 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.15 96.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.381 -0.824 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.44 -47.6 81.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.312 -0.867 . . . . 0.0 109.98 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.6 t -61.73 -26.93 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.344 -0.848 . . . . 0.0 109.922 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.93 -49.91 53.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.081 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -33.3 75.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 0.0 110.088 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.562 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.8 ttp -74.77 -33.41 62.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.409 -0.807 . . . . 0.0 110.067 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.455 HD21 HD22 ' A' ' 105' ' ' LEU . 4.5 mt -64.93 -44.69 88.66 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 110.02 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -62.18 -29.09 70.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.427 -0.796 . . . . 0.0 110.186 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -80.04 -39.57 29.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.63 HG22 ' CD ' ' A' ' 139' ' ' GLN . 59.6 t -87.49 -59.38 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 0.0 110.167 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.417 ' HB2' HD13 ' A' ' 135' ' ' ILE . 22.9 t -66.61 87.75 0.13 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.815 . . . . 0.0 110.186 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.23 -27.87 69.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.364 -0.835 . . . . 0.0 110.196 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -109.58 -106.71 3.03 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.44 -36.89 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.355 -1.085 . . . . 0.0 110.465 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -56.35 -97.26 0.01 OUTLIER Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.44 158.97 15.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.283 -1.128 . . . . 0.0 110.357 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.417 HD13 ' HB2' ' A' ' 129' ' ' SER . 83.9 mt -131.02 158.38 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 109.985 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -92.83 128.54 38.73 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.307 -0.871 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.711 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.7 pt -79.91 -9.86 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.367 -0.833 . . . . 0.0 110.616 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -59.99 -56.91 15.8 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.145 -0.972 . . . . 0.0 110.387 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.769 ' OE1' HD12 ' A' ' 143' ' ' LEU . 0.0 OUTLIER -73.44 -32.69 64.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.344 -0.847 . . . . 0.0 109.816 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.742 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 2.0 t80 -70.04 -41.25 74.48 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.329 -0.857 . . . . 0.0 109.894 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.78 94.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -0.879 . . . . 0.0 109.827 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.49 98.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.43 -0.794 . . . . 0.0 110.086 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.769 HD12 ' OE1' ' A' ' 139' ' ' GLN . 4.0 mt -62.43 -35.83 80.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.401 -0.812 . . . . 0.0 110.13 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.25 -66.93 0.79 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 110.154 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.1 p 49.34 -158.03 0.07 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.488 -0.757 . . . . 0.0 110.674 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.452 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.204 0.526 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.4 p -81.09 100.04 8.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.356 -0.84 . . . . 0.0 110.199 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.07 115.52 25.61 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.355 -0.84 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.574 ' O ' HD11 ' A' ' 9' ' ' ILE . 17.9 mt -61.2 129.29 40.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.387 -0.821 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.428 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -69.65 161.43 29.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.407 -0.808 . . . . 0.0 110.245 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -52.29 -50.07 62.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.486 -0.759 . . . . 0.0 109.753 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 13.6 pt-20 -54.18 -43.17 70.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.684 -0.635 . . . . 0.0 110.572 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 10.2 mm100 -68.43 -45.22 73.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.333 -0.854 . . . . 0.0 110.036 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.574 HD11 ' O ' ' A' ' 4' ' ' LEU . 55.8 mt -65.46 -32.8 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.357 -0.84 . . . . 0.0 109.846 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.88 95.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.465 -0.772 . . . . 0.0 109.988 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -63.74 -49.99 70.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.433 -0.792 . . . . 0.0 110.144 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.542 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 25.2 m-85 -60.76 -41.01 94.62 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.35 -0.844 . . . . 0.0 110.19 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 2.7 ttmm -61.75 -38.34 87.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.328 -0.857 . . . . 0.0 110.206 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -61.08 -51.38 69.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.852 . . . . 0.0 110.16 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.57 -34.25 73.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.435 -0.791 . . . . 0.0 110.112 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.47 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.0 t80 -68.61 -50.12 54.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.361 -0.837 . . . . 0.0 110.271 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.69 -29.94 70.42 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.287 -0.883 . . . . 0.0 110.203 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.82 -32.02 73.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.868 . . . . 0.0 110.238 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -102.77 25.4 9.27 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 0.0 110.226 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -125.26 131.16 53.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.3 -0.875 . . . . 0.0 110.113 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -60.89 -91.52 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.364 -0.835 . . . . 0.0 110.301 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -174.11 35.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.002 -1.061 . . . . 0.0 110.136 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -95.01 -63.05 1.21 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.271 -0.893 . . . . 0.0 110.302 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -139.69 -61.28 0.54 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.288 -0.883 . . . . 0.0 110.268 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.87 55.93 0.01 OUTLIER Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 p -133.43 145.99 50.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.324 -1.104 . . . . 0.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 16' ' ' PHE . 40.6 pt -126.44 157.54 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.332 -0.855 . . . . 0.0 110.219 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 m -84.18 160.16 20.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 110.181 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -39.94 84.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.39 -0.819 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.9 t -54.88 -24.77 24.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.382 -0.824 . . . . 0.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.824 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.9 mt-10 -95.3 -21.58 18.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.337 -0.852 . . . . 0.0 110.304 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 63' ' ' ILE . 60.9 tp -54.7 -53.65 52.14 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.27 -0.894 . . . . 0.0 110.434 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.07 77.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.247 -0.908 . . . . 0.0 110.173 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 m -69.32 -39.28 78.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.363 -0.836 . . . . 0.0 110.005 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 31' ' ' GLU . 99.9 t -62.05 -34.3 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.332 -0.855 . . . . 0.0 109.774 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.3 mtt -72.61 -35.37 67.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.386 -0.821 . . . . 0.0 109.797 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -66.15 -30.82 71.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.405 -0.809 . . . . 0.0 110.093 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.7 m -79.06 -35.96 41.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.407 -0.808 . . . . 0.0 110.142 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.81 -22.25 66.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.796 . . . . 0.0 110.278 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.22 34.82 0.99 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.3 mt -126.25 176.63 6.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -1.06 . . . . 0.0 110.129 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -167.93 65.56 0.71 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.373 -0.829 . . . . 0.0 110.225 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.75 137.34 24.62 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.775 1.408 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.3 m -62.61 176.07 0.71 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.395 -0.815 . . . . 0.0 110.104 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -33.57 74.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.365 -0.834 . . . . 0.0 110.048 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.68 92.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.344 -0.847 . . . . 0.0 109.972 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.62 -41.62 92.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.394 -0.816 . . . . 0.0 109.901 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 44' ' ' SER . 67.2 t -64.06 -38.73 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.4 -0.812 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -61.98 -38.78 89.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 109.894 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.99 -51.61 67.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.404 -0.81 . . . . 0.0 110.005 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.45 -43.57 98.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.393 -0.817 . . . . 0.0 109.99 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.5 mtt -67.59 -37.17 82.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.341 -0.849 . . . . 0.0 110.016 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -64.26 -27.71 69.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.4 -0.813 . . . . 0.0 110.201 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -86.65 -23.39 25.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -0.84 . . . . 0.0 110.204 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.694 HD13 ' CD1' ' A' ' 63' ' ' ILE . 3.7 mt -89.16 -50.2 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.32 -0.863 . . . . 0.0 110.269 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -56.56 127.37 30.93 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.342 -0.849 . . . . 0.0 110.735 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 55' ' ' ILE . 79.0 t -128.95 -41.51 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.42 -0.8 . . . . 0.0 109.947 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -113.63 -32.69 6.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.314 -0.866 . . . . 0.0 110.322 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.34 -48.61 0.09 OUTLIER Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -122.83 -49.19 1.99 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.316 -1.108 . . . . 0.0 110.432 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.411 ' CD2' HG23 ' A' ' 55' ' ' ILE . 5.8 t60 55.98 106.33 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.5 -0.75 . . . . 0.0 110.57 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -79.77 129.45 34.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.893 . . . . 0.0 110.025 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.694 ' CD1' HD13 ' A' ' 55' ' ' ILE . 76.5 mt -79.84 139.76 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.302 -0.874 . . . . 0.0 110.204 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.46 160.07 15.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.366 -0.834 . . . . 0.0 110.063 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.783 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.7 t80 -57.84 -26.78 62.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.329 -0.857 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 t -71.28 -55.27 8.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.402 -0.811 . . . . 0.0 110.069 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.43 ' O ' HD12 ' A' ' 71' ' ' LEU . 2.6 mt-10 -65.02 -31.61 72.93 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.36 -0.838 . . . . 0.0 110.079 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.38 -48.39 67.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.372 -0.83 . . . . 0.0 110.08 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.783 HD11 ' CE2' ' A' ' 65' ' ' PHE . 39.5 mt -59.37 -37.41 77.86 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.305 -0.872 . . . . 0.0 110.117 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.97 -47.21 72.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.511 -0.743 . . . . 0.0 110.051 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 67' ' ' GLU . 7.1 mt -62.97 -38.39 90.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.318 -0.864 . . . . 0.0 110.099 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.748 ' O ' HD12 ' A' ' 76' ' ' LEU . 95.9 mmm -66.65 -42.0 87.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.19 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 t -64.64 -29.33 70.33 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.324 -0.86 . . . . 0.0 110.254 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -76.91 -29.07 55.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.371 -0.83 . . . . 0.0 110.087 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -93.15 -27.66 16.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.382 -0.823 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 72' ' ' MET . 1.2 mt -79.16 -29.19 42.92 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.332 -0.855 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -100.19 -168.54 1.6 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.365 -0.834 . . . . 0.0 110.224 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 p 51.26 43.78 29.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.487 -0.758 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -71.98 123.2 22.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.372 -0.83 . . . . 0.0 110.24 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -126.99 -163.56 1.26 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.252 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -15.7 62.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -0.813 . . . . 0.0 110.458 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -54.51 -58.16 8.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.214 -0.929 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.57 -32.46 71.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.278 -0.889 . . . . 0.0 110.129 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -67.64 -34.17 76.43 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.443 -0.785 . . . . 0.0 110.068 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.479 HD23 HD13 ' A' ' 112' ' ' ILE . 18.3 mt -68.21 -48.88 64.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.45 -0.781 . . . . 0.0 110.066 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.02 -33.38 71.93 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.369 -0.832 . . . . 0.0 110.119 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.577 ' O ' HG23 ' A' ' 91' ' ' VAL . 14.6 mt-10 -68.03 -48.42 65.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.412 -0.805 . . . . 0.0 110.148 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.83 -44.55 92.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.353 -0.842 . . . . 0.0 110.023 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.466 ' CD1' HG22 ' A' ' 137' ' ' ILE . 3.5 m-85 -62.39 -40.36 96.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.343 -0.848 . . . . 0.0 110.083 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -60.86 -36.64 79.67 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.315 -0.866 . . . . 0.0 110.12 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 87' ' ' GLU . 72.0 t -68.36 -37.09 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.363 -0.836 . . . . 0.0 109.826 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.477 ' CD2' HG22 ' A' ' 108' ' ' VAL . 9.6 m-85 -77.91 -28.81 49.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.378 -0.826 . . . . 0.0 110.044 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.486 ' CG ' HG23 ' A' ' 100' ' ' ILE . 3.9 t0 -89.41 -32.28 17.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.412 -0.805 . . . . 0.0 110.411 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.51 -122.98 2.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.28 -0.887 . . . . 0.0 109.598 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -98.78 44.57 1.02 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.703 -1.248 . . . . 0.0 110.074 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.56 29.1 10.16 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.37 25.96 2.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.364 -1.08 . . . . 0.0 110.491 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.87 49.37 29.05 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 99' ' ' LEU . 7.0 mt -146.7 110.83 5.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.333 -1.099 . . . . 0.0 110.204 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.486 HG23 ' CG ' ' A' ' 93' ' ' ASP . 43.5 pt -122.69 160.15 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.332 -0.855 . . . . 0.0 110.244 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -79.77 160.31 26.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.42 28.32 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.347 -0.846 . . . . 0.0 110.539 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.51 -59.75 4.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.405 -0.81 . . . . 0.0 110.044 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 108' ' ' VAL . 35.8 mt-10 -58.99 -29.63 67.37 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.364 -0.835 . . . . 0.0 110.04 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.843 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 2.1 tp -68.44 -43.04 77.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.463 -0.773 . . . . 0.0 110.079 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.571 ' HE2' HD11 ' A' ' 125' ' ' LEU . 11.1 mmtt -64.85 -40.75 95.65 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.409 -0.807 . . . . 0.0 110.078 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -63.75 -33.78 76.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.371 -0.83 . . . . 0.0 110.155 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.9 t -71.94 -49.59 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.366 -0.834 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.0 -37.46 79.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.432 -0.793 . . . . 0.0 110.162 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.7 m -72.06 -42.76 65.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.418 -0.802 . . . . 0.0 110.183 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.7 t -62.08 -44.52 96.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.431 -0.793 . . . . 0.0 110.156 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.479 HD13 HD23 ' A' ' 85' ' ' LEU . 87.6 mt -62.44 -23.69 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.422 -0.799 . . . . 0.0 110.177 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.55 33.88 63.6 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.572 ' HB3' HD12 ' A' ' 116' ' ' LEU . 2.9 mm-40 -57.6 161.41 3.62 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.444 -1.033 . . . . 0.0 110.371 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.16 57.26 4.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.397 -0.814 . . . . 0.0 110.162 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.572 HD12 ' HB3' ' A' ' 114' ' ' GLU . 10.6 mt -130.18 167.86 17.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 0.0 110.395 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 121' ' ' VAL . 22.5 p -124.79 -167.7 1.71 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.4 -0.813 . . . . 0.0 110.271 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.98 -33.12 63.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.386 -0.821 . . . . 0.0 110.2 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.88 79.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.374 -0.829 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.63 -46.22 66.71 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.331 -0.856 . . . . 0.0 110.115 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 117' ' ' THR . 93.8 t -64.04 -25.98 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.408 -0.807 . . . . 0.0 109.948 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.34 -49.27 28.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.027 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.09 -32.2 72.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.393 -0.817 . . . . 0.0 110.03 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.479 ' HE2' ' CE1' ' A' ' 140' ' ' PHE . 23.1 ttp -72.67 -28.84 62.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.793 . . . . 0.0 110.026 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.571 HD11 ' HE2' ' A' ' 106' ' ' LYS . 8.0 mt -74.57 -38.38 62.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.446 -0.784 . . . . 0.0 110.093 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -69.03 -27.9 66.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -0.887 . . . . 0.0 110.231 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -80.16 -26.53 39.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.89 . . . . 0.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.657 HG12 HG23 ' A' ' 135' ' ' ILE . 58.5 t -98.97 -30.74 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.383 -0.823 . . . . 0.0 110.144 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.4 t -63.54 140.95 58.92 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.321 -0.862 . . . . 0.0 110.221 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -162.99 -43.47 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.403 -0.811 . . . . 0.0 110.22 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -73.96 -81.49 0.43 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.83 -70.86 0.13 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.398 -1.06 . . . . 0.0 110.258 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.96 32.77 1.99 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -130.19 130.27 44.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.347 -1.09 . . . . 0.0 110.169 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.657 HG23 HG12 ' A' ' 128' ' ' VAL . 80.4 mt -134.08 143.26 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.37 -0.831 . . . . 0.0 110.217 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -82.13 149.11 28.15 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.36 -0.838 . . . . 0.0 110.082 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 89' ' ' PHE . 21.1 pt -80.04 -21.51 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.36 -0.838 . . . . 0.0 110.364 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -59.44 -54.91 41.18 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.249 -0.907 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.444 ' O ' HD12 ' A' ' 143' ' ' LEU . 5.5 mm100 -62.14 -43.43 98.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.308 -0.87 . . . . 0.0 110.204 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.843 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.55 -45.14 84.53 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.403 -0.811 . . . . 0.0 109.975 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.91 -33.07 72.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.324 -0.86 . . . . 0.0 110.185 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.95 -27.5 39.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.29 -0.881 . . . . 0.0 110.187 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 139' ' ' GLN . 0.6 OUTLIER -70.25 -33.09 71.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.416 -0.803 . . . . 0.0 110.188 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.55 HD22 HD11 ' A' ' 116' ' ' LEU . 90.4 mt -73.16 -69.27 0.43 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.421 -0.799 . . . . 0.0 110.159 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.7 t 51.94 -166.84 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.308 -0.87 . . . . 0.0 110.548 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.222 0.534 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -92.31 48.52 1.41 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.892 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -78.18 -172.63 2.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.383 -0.823 . . . . 0.0 110.211 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.442 HD22 ' HE2' ' A' ' 12' ' ' PHE . 10.8 mt -53.74 158.29 1.99 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.317 -0.864 . . . . 0.0 110.502 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.444 ' HB ' ' HG2' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -93.68 162.75 13.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.395 -0.816 . . . . 0.0 110.163 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.8 -49.72 62.17 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.695 0.759 . . . . 0.0 109.68 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.444 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 11.0 pt-20 -57.51 -42.68 83.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.786 -0.571 . . . . 0.0 110.456 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 7' ' ' GLU . 32.2 mt-30 -69.88 -45.07 68.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.417 -0.802 . . . . 0.0 109.923 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -66.0 -28.17 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.513 -0.742 . . . . 0.0 109.81 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.26 -38.69 71.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.835 . . . . 0.0 109.87 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -64.82 -48.49 74.2 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 0.0 110.11 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 25.6 m-85 -62.03 -37.89 86.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.255 -0.903 . . . . 0.0 109.934 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 11.3 ttmt -61.07 -40.93 95.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.42 -0.8 . . . . 0.0 110.221 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.22 -50.28 72.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -0.825 . . . . 0.0 110.059 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.45 76.99 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 110.061 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE1' HG23 ' A' ' 27' ' ' ILE . 16.8 t80 -69.34 -47.07 65.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.818 . . . . 0.0 110.179 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -28.93 70.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.423 -0.798 . . . . 0.0 110.174 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.25 -37.73 84.15 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.347 -0.846 . . . . 0.0 110.169 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -104.88 26.74 8.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.34 -0.85 . . . . 0.0 110.169 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -119.63 60.96 0.84 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.407 -0.808 . . . . 0.0 110.123 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -98.75 30.07 3.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 0.0 110.265 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -102.69 14.51 31.77 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.317 -0.864 . . . . 0.0 110.445 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 m120 51.39 69.97 0.59 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.288 -0.882 . . . . 0.0 110.604 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -167.88 -50.03 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.361 -0.837 . . . . 0.0 110.205 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.99 35.73 1.32 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -151.32 159.39 44.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.464 -1.021 . . . . 0.0 110.105 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.511 HG23 ' CE1' ' A' ' 16' ' ' PHE . 46.1 pt -124.11 159.87 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.433 -0.792 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -90.29 160.24 16.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.347 -0.846 . . . . 0.0 110.362 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -35.82 73.37 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.343 -0.848 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.02 -25.64 61.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.382 -0.824 . . . . 0.0 110.299 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.816 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.1 mt-10 -99.99 -15.25 18.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.388 -0.82 . . . . 0.0 110.502 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.636 HD22 HD13 ' A' ' 55' ' ' ILE . 60.5 tp -57.39 -46.53 83.33 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.201 -0.937 . . . . 0.0 110.404 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.598 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -60.41 -46.26 90.63 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.296 -0.878 . . . . 0.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.2 m -62.55 -38.06 88.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.362 -0.836 . . . . 0.0 110.09 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 31' ' ' GLU . 93.1 t -59.11 -41.49 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.366 -0.834 . . . . 0.0 109.831 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.0 mtt -68.95 -33.85 74.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.403 -0.81 . . . . 0.0 109.762 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -73.58 -37.06 65.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 110.042 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.77 -33.98 71.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.469 -0.769 . . . . 0.0 110.004 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.86 -36.57 83.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -0.788 . . . . 0.0 110.056 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.09 -12.2 1.64 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 mt -81.11 -176.48 5.97 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.144 -1.209 . . . . 0.0 110.165 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 m -168.94 66.65 0.64 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.408 -0.808 . . . . 0.0 110.078 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.74 137.75 25.27 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 O-C-N 123.738 1.388 . . . . 0.0 110.387 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.0 m -61.81 175.08 0.7 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.433 -0.792 . . . . 0.0 110.155 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.13 -27.33 68.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.255 -0.903 . . . . 0.0 110.115 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.87 68.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.375 -0.828 . . . . 0.0 110.102 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -66.15 -36.74 83.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.439 -0.788 . . . . 0.0 110.194 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.598 HG13 ' HB2' ' A' ' 33' ' ' ALA . 64.5 t -66.8 -40.5 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.367 -0.833 . . . . 0.0 110.081 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.84 -42.04 98.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.425 -0.797 . . . . 0.0 110.068 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -59.96 -47.95 83.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 0.0 110.045 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 55' ' ' ILE . 6.9 mt -63.44 -46.99 83.74 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.429 -0.794 . . . . 0.0 109.963 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.9 mtt -64.34 -30.03 71.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.377 -0.827 . . . . 0.0 109.874 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.07 -42.35 97.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.453 -0.779 . . . . 0.0 109.896 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -67.05 -40.8 87.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.403 -0.81 . . . . 0.0 109.934 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.636 HD13 HD22 ' A' ' 32' ' ' LEU . 6.7 mt -75.35 -59.5 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 0.0 109.875 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -69.66 95.46 0.87 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 110.049 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.27 -58.65 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.321 -0.862 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -110.99 45.4 1.17 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.354 -0.841 . . . . 0.0 110.189 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.26 27.62 67.87 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -168.62 109.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.326 -1.102 . . . . 0.0 110.168 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -167.75 103.86 0.49 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -0.853 . . . . 0.0 110.29 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -79.99 142.12 35.32 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.431 -0.793 . . . . 0.0 109.975 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.585 ' CD1' HD22 ' A' ' 32' ' ' LEU . 67.0 mt -98.39 119.84 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.209 -0.932 . . . . 0.0 110.351 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.87 160.16 17.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.394 -0.816 . . . . 0.0 109.85 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.666 ' CE2' HD11 ' A' ' 69' ' ' LEU . 13.9 t80 -56.3 -25.24 47.87 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.29 -0.882 . . . . 0.0 110.492 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.4 p -71.89 -51.05 24.14 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.277 -0.89 . . . . 0.0 110.15 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.53 -35.26 78.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.37 -0.831 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -63.36 -47.09 83.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.37 -0.831 . . . . 0.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.666 HD11 ' CE2' ' A' ' 65' ' ' PHE . 43.7 mt -61.24 -39.73 91.41 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.289 -0.882 . . . . 0.0 110.0 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.5 -46.07 70.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.419 -0.8 . . . . 0.0 110.047 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.3 mt -63.45 -36.19 82.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.413 -0.804 . . . . 0.0 110.136 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.714 ' O ' HD12 ' A' ' 76' ' ' LEU . 80.8 mmm -67.74 -40.8 84.13 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.334 -0.854 . . . . 0.0 110.139 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -39.64 95.3 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.354 -0.841 . . . . 0.0 110.12 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -63.81 -36.99 85.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.825 . . . . 0.0 110.143 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -83.95 -36.73 23.05 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 110.184 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -65.58 -27.0 68.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.342 -0.849 . . . . 0.0 110.173 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.59 79.75 0.58 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.36 -0.838 . . . . 0.0 110.068 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.6 t -159.65 176.43 12.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 110.196 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -105.57 175.3 5.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.218 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.97 112.82 19.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.381 -0.824 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -42.89 22.77 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.358 -0.839 . . . . 0.0 110.24 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -62.86 -56.99 12.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.46 -0.775 . . . . 0.0 110.139 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -59.47 -27.14 65.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.38 -0.825 . . . . 0.0 110.213 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.03 -41.22 77.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 110.068 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -42.66 86.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.277 -0.889 . . . . 0.0 110.176 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.69 -35.95 81.35 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.45 -0.781 . . . . 0.0 110.018 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.93 -46.14 69.0 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.824 . . . . 0.0 110.093 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.1 99.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.302 -0.873 . . . . 0.0 110.031 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.488 ' HB3' HD13 ' A' ' 137' ' ' ILE . 9.3 m-85 -64.57 -32.55 74.25 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.377 -0.827 . . . . 0.0 110.168 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -65.52 -40.13 92.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.328 -0.858 . . . . 0.0 110.131 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.88 -36.59 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.375 -0.828 . . . . 0.0 110.038 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.97 -32.03 68.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 110.162 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.91 137.67 35.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.399 -0.813 . . . . 0.0 110.197 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -74.88 -45.37 43.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.165 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -86.1 -176.35 5.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.364 -0.835 . . . . 0.0 110.212 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.06 33.43 5.73 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.63 -31.85 10.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.348 -1.089 . . . . 0.0 110.2 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.81 67.63 0.8 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 99' ' ' LEU . 31.1 mt -144.69 110.37 5.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.35 -1.088 . . . . 0.0 110.172 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 pt -132.34 160.05 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.362 -0.836 . . . . 0.0 110.358 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.78 160.12 26.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.378 -0.826 . . . . 0.0 110.201 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.23 -28.37 58.18 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.294 -0.879 . . . . 0.0 110.353 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.59 -56.84 11.33 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.422 -0.799 . . . . 0.0 110.082 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.659 ' O ' HG23 ' A' ' 108' ' ' VAL . 20.4 mt-10 -61.61 -32.54 72.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.825 . . . . 0.0 110.036 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.782 HD22 HD21 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -67.29 -37.52 83.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.402 -0.812 . . . . 0.0 110.103 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -72.16 -33.88 68.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -70.32 -29.89 66.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 110.175 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 104' ' ' GLU . 62.9 t -79.16 -33.04 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.434 -0.791 . . . . 0.0 110.185 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.59 -28.14 60.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.39 -0.819 . . . . 0.0 110.267 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -80.03 -41.74 25.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.356 -0.84 . . . . 0.0 110.358 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -42.56 99.39 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.282 -0.886 . . . . 0.0 110.244 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 108' ' ' VAL . 74.4 mt -62.75 -27.36 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.337 -0.852 . . . . 0.0 110.078 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.17 32.72 47.36 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.45 161.17 12.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.402 -1.057 . . . . 0.0 110.17 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 60.62 6.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.367 -0.833 . . . . 0.0 110.16 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.1 mt -136.78 134.84 37.48 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.387 -0.821 . . . . 0.0 110.217 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.5 p -93.53 178.79 5.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.858 . . . . 0.0 110.194 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -33.22 74.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.88 95.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.336 -0.852 . . . . 0.0 110.166 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -65.91 -48.2 72.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.373 -0.829 . . . . 0.0 110.197 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.72 -29.67 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.375 -0.828 . . . . 0.0 110.046 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -48.94 56.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.315 -0.866 . . . . 0.0 110.053 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.51 -30.12 70.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.44 -0.788 . . . . 0.0 110.104 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.6 ttp -74.43 -32.17 62.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.344 -0.847 . . . . 0.0 110.029 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.782 HD21 HD22 ' A' ' 105' ' ' LEU . 22.5 mt -69.88 -40.89 75.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.452 -0.78 . . . . 0.0 110.195 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -61.91 -31.13 71.4 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.396 -0.815 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -80.0 -43.63 21.64 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.276 -0.89 . . . . 0.0 110.377 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.603 HG12 HG23 ' A' ' 135' ' ' ILE . 61.5 t -81.92 -56.19 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.385 -0.822 . . . . 0.0 110.25 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t -59.43 108.79 0.76 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.316 -0.865 . . . . 0.0 110.405 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -105.64 -39.69 6.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.325 -0.86 . . . . 0.0 110.103 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 132' ' ' SER . . . -84.54 -8.55 82.95 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 131' ' ' GLY . 1.1 t 70.21 -4.18 1.62 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.394 -1.062 . . . . 0.0 111.256 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.83 -77.15 1.26 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -109.69 146.76 34.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.463 -1.021 . . . . 0.0 110.149 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.603 HG23 HG12 ' A' ' 128' ' ' VAL . 83.9 mt -113.56 153.27 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.313 -0.867 . . . . 0.0 110.192 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -93.61 117.65 30.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.311 -0.868 . . . . 0.0 110.235 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' A' ' 89' ' ' PHE . 25.2 pt -60.4 -20.2 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.383 -0.823 . . . . 0.0 110.493 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.23 -52.8 64.07 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.308 -0.87 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -68.86 -40.47 79.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.346 -0.846 . . . . 0.0 110.178 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.525 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -66.55 -45.7 78.5 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.299 -0.875 . . . . 0.0 110.21 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.43 72.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.852 . . . . 0.0 110.161 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.16 62.44 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.261 -0.899 . . . . 0.0 110.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 mt -68.74 -32.3 71.98 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.32 -0.863 . . . . 0.0 110.095 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.8 mt -78.38 -28.18 46.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.857 . . . . 0.0 110.292 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.8 t -120.12 -66.5 1.06 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.366 -0.834 . . . . 0.0 110.289 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.213 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.22 0.533 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.55 -154.28 0.49 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.323 -0.861 . . . . 0.0 110.105 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -57.67 162.07 3.29 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.255 -0.903 . . . . 0.0 110.344 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.445 HD22 ' HE2' ' A' ' 12' ' ' PHE . 46.2 mt -71.45 151.39 44.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 0.0 110.325 -179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.541 ' O ' HD12 ' A' ' 9' ' ' ILE . 5.1 p -112.88 177.61 4.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.5 -0.75 . . . . 0.0 109.858 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.85 -32.63 72.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.31 -0.869 . . . . 0.0 110.179 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -70.35 -45.72 65.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.853 . . . . 0.0 109.969 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -68.74 -40.43 79.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.387 -0.82 . . . . 0.0 109.982 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 5' ' ' THR . 38.0 mt -67.35 -30.12 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -0.846 . . . . 0.0 109.862 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.28 69.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.401 -0.812 . . . . 0.0 109.903 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -66.06 -49.18 68.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.426 -0.796 . . . . 0.0 110.037 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' HE2' HD22 ' A' ' 4' ' ' LEU . 25.6 m-85 -60.39 -38.04 82.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.314 -0.866 . . . . 0.0 110.019 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 65' ' ' PHE . 10.0 ttmt -60.85 -39.64 89.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.385 -0.822 . . . . 0.0 110.062 179.752 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -62.35 -50.22 72.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.43 -0.793 . . . . 0.0 109.998 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.84 -34.08 71.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.419 -0.801 . . . . 0.0 110.043 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -68.86 -39.55 79.8 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.381 -0.825 . . . . 0.0 110.068 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.69 65.67 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.377 -0.827 . . . . 0.0 110.136 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.19 -31.91 71.66 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.34 -0.85 . . . . 0.0 110.181 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' HG22 ' A' ' 27' ' ' ILE . 88.7 m-85 -111.35 30.57 6.81 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -110.98 172.73 6.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.389 -0.819 . . . . 0.0 110.087 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -73.0 -69.62 0.41 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.335 -0.853 . . . . 0.0 110.249 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -166.63 -68.61 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.377 -0.827 . . . . 0.0 110.226 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -116.44 -11.66 11.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.405 -0.809 . . . . 0.0 110.571 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -58.79 -62.98 1.47 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.166 -0.959 . . . . 0.0 110.243 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.69 49.56 1.95 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 p -153.57 140.37 19.07 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.367 -1.078 . . . . 0.0 110.214 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 19' ' ' PHE . 45.3 pt -122.75 153.56 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.336 -0.852 . . . . 0.0 110.176 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 m -83.46 160.15 21.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.366 -0.834 . . . . 0.0 110.304 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -36.68 71.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.377 -0.827 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.4 p -58.39 -31.77 67.98 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.375 -0.828 . . . . 0.0 110.262 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 35' ' ' VAL . 21.2 mt-10 -89.49 -17.59 28.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.424 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.53 -52.64 64.02 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.277 -0.889 . . . . 0.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.82 72.53 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.332 -0.855 . . . . 0.0 110.162 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.5 m -69.66 -38.95 77.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.345 -0.847 . . . . 0.0 110.011 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 31' ' ' GLU . 93.6 t -61.36 -38.54 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.382 -0.824 . . . . 0.0 109.843 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 61.0 mtt -70.3 -34.03 72.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.379 -0.826 . . . . 0.0 109.981 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -64.86 -33.2 75.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.418 -0.801 . . . . 0.0 110.013 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.52 -34.75 40.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.391 -0.818 . . . . 0.0 110.232 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.8 mt -64.7 -24.83 67.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.391 -0.818 . . . . 0.0 110.152 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.54 37.09 0.7 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -125.7 176.05 7.18 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -1.077 . . . . 0.0 110.187 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -167.28 64.83 0.75 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.364 -0.835 . . . . 0.0 110.161 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -74.53 137.43 22.86 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.767 1.404 . . . . 0.0 110.453 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.4 m -63.22 178.99 0.45 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.426 -0.796 . . . . 0.0 110.052 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.46 -31.48 72.21 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.258 -0.901 . . . . 0.0 110.059 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.49 91.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.41 -0.806 . . . . 0.0 110.112 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.73 -42.66 90.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.346 -0.846 . . . . 0.0 109.955 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 44' ' ' SER . 57.4 t -62.54 -37.71 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.437 -0.789 . . . . 0.0 109.881 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -64.26 -38.23 90.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.497 -0.752 . . . . 0.0 109.981 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -62.06 -48.26 81.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 0.0 110.045 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.484 ' O ' HD12 ' A' ' 55' ' ' ILE . 9.3 mt -61.55 -45.08 95.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.371 -0.83 . . . . 0.0 110.072 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.2 mtt -66.54 -28.1 68.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.353 -0.842 . . . . 0.0 109.958 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -66.46 -39.63 88.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.413 -0.804 . . . . 0.0 109.977 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -74.55 -29.58 61.42 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 110.013 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 57' ' ' VAL . 11.3 mt -87.32 -60.87 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.417 -0.802 . . . . 0.0 109.98 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -61.97 91.17 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.351 -0.843 . . . . 0.0 110.343 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 55' ' ' ILE . 84.3 t -103.57 -65.69 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.505 -0.747 . . . . 0.0 109.968 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -91.33 -149.11 0.23 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.425 -0.797 . . . . 0.0 109.937 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.8 13.9 63.13 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -173.76 117.86 0.26 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.072 -1.252 . . . . 0.0 110.184 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -149.54 92.93 1.99 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.308 -0.87 . . . . 0.0 110.182 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -80.5 140.66 35.77 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.376 -0.828 . . . . 0.0 110.044 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.517 HD11 HD13 ' A' ' 55' ' ' ILE . 76.0 mt -84.36 118.14 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.376 -0.828 . . . . 0.0 110.294 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -85.99 160.12 19.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.42 -0.8 . . . . 0.0 110.0 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.759 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.6 t80 -56.53 -26.43 54.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.331 -0.856 . . . . 0.0 110.404 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.5 p -72.93 -50.81 21.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.351 -0.843 . . . . 0.0 110.073 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.78 -29.24 69.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.824 . . . . 0.0 110.191 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -71.19 -48.75 49.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.401 -0.812 . . . . 0.0 110.171 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.759 HD11 ' CE2' ' A' ' 65' ' ' PHE . 40.6 mt -60.2 -32.74 71.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.367 -0.833 . . . . 0.0 110.067 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.64 -48.18 49.53 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -0.831 . . . . 0.0 110.101 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.32 -39.4 86.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.311 -0.868 . . . . 0.0 110.031 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.0 mmm -67.3 -33.15 74.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.33 -0.856 . . . . 0.0 109.925 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.414 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 14.3 t -64.07 -41.79 97.21 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.109 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -66.61 -38.44 86.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.368 -0.832 . . . . 0.0 109.995 -179.889 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 5.0 mm100 -80.95 -37.92 28.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.462 -0.774 . . . . 0.0 110.37 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.9 mt -68.3 -35.37 77.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.336 -0.852 . . . . 0.0 110.246 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 73' ' ' SER . 0.3 OUTLIER -97.82 174.38 6.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.336 -0.853 . . . . 0.0 110.316 -179.856 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.8 m -160.58 28.52 0.16 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.418 -0.801 . . . . 0.0 110.145 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -153.41 -167.85 2.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.423 -0.798 . . . . 0.0 110.086 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.62 -167.17 2.74 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.855 . . . . 0.0 110.263 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.6 p -74.24 -9.83 58.99 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.475 -0.766 . . . . 0.0 110.503 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.536 ' HG2' HD11 ' A' ' 86' ' ' LEU . 22.8 tt0 -51.98 -53.15 44.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.185 -0.947 . . . . 0.0 110.568 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.505 ' HA ' HD12 ' A' ' 86' ' ' LEU . 5.6 mm-40 -52.91 -43.65 66.36 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.319 -0.863 . . . . 0.0 110.392 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -64.51 -44.37 91.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.308 -0.87 . . . . 0.0 109.93 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.433 HD21 HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -62.71 -40.41 97.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 0.0 110.046 179.868 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.536 HD11 ' HG2' ' A' ' 82' ' ' GLU . 26.1 mt -63.12 -31.85 73.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.01 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.19 -50.16 61.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.07 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.73 92.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.329 -0.857 . . . . 0.0 110.134 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.639 ' HB3' HD13 ' A' ' 137' ' ' ILE . 10.8 m-85 -62.38 -32.9 73.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.396 -0.815 . . . . 0.0 110.116 179.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -64.06 -43.5 95.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.376 -0.827 . . . . 0.0 110.097 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.41 -45.65 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 110.082 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.486 ' CZ ' HG22 ' A' ' 108' ' ' VAL . 11.2 m-85 -64.92 -28.95 69.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 110.123 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 95' ' ' ASN . 5.7 t0 -61.84 -28.16 69.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.39 -0.819 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 -68.69 0.11 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.718 . . . . 0.0 110.649 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' ASP . 5.5 m120 -72.25 -76.08 0.12 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.237 -0.914 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.31 45.92 0.05 OUTLIER Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -119.98 7.12 10.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.376 -1.073 . . . . 0.0 110.53 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.68 53.35 46.03 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.1 mt -146.8 112.36 5.61 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.356 -1.085 . . . . 0.0 110.345 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.659 HD11 HD12 ' A' ' 105' ' ' LEU . 41.5 pt -132.28 160.2 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 t -79.93 160.19 26.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.289 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.99 -35.31 69.04 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.336 -0.853 . . . . 0.0 110.227 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.71 -50.02 72.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.396 -0.815 . . . . 0.0 110.095 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.747 ' O ' HG23 ' A' ' 108' ' ' VAL . 10.5 mt-10 -64.17 -35.52 81.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.369 -0.832 . . . . 0.0 109.936 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.792 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -66.21 -39.49 89.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.408 -0.808 . . . . 0.0 110.001 179.783 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -46.95 77.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.362 -0.836 . . . . 0.0 110.185 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -59.97 -33.12 71.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.0 t -75.74 -38.35 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.429 -0.795 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -68.88 -26.69 65.25 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.293 -0.879 . . . . 0.0 110.168 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.6 m -79.11 -30.46 43.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.32 -0.862 . . . . 0.0 110.216 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 m -76.48 -37.35 56.99 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.292 -0.88 . . . . 0.0 110.228 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.433 HD13 HD21 ' A' ' 85' ' ' LEU . 71.8 mt -62.04 -26.92 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.134 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.13 37.13 19.41 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.92 -7.22 52.92 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.313 -1.11 . . . . 0.0 110.483 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.65 43.28 30.43 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.174 -0.954 . . . . 0.0 110.367 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 120' ' ' GLU . 7.4 mt -96.79 115.64 27.78 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.113 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.8 p -62.19 165.18 6.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.37 -0.831 . . . . 0.0 110.124 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.3 -33.66 75.09 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.287 -0.883 . . . . 0.0 110.249 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.13 81.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.432 -0.792 . . . . 0.0 110.2 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.464 ' HB3' HD22 ' A' ' 116' ' ' LEU . 5.6 mm-40 -66.28 -51.33 58.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.412 -0.805 . . . . 0.0 110.142 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.57 -29.55 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.39 -0.819 . . . . 0.0 110.122 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.22 -41.05 86.39 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.171 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.28 -28.03 62.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.329 -0.857 . . . . 0.0 110.188 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.544 ' HG2' HD13 ' A' ' 143' ' ' LEU . 4.8 mtp -79.75 -31.23 40.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.384 -0.822 . . . . 0.0 110.173 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.0 mt -72.55 -42.27 64.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.283 -0.886 . . . . 0.0 110.149 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -66.15 -34.27 77.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.371 -0.831 . . . . 0.0 110.165 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -80.03 -29.25 39.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.402 -0.811 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 124' ' ' MET . 63.8 t -94.53 -61.81 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.407 -0.808 . . . . 0.0 110.122 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.4 t -61.4 139.31 58.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.32 -0.862 . . . . 0.0 110.208 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -129.32 -45.05 1.23 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.303 -0.873 . . . . 0.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.54 78.46 0.02 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.2 t -147.26 -53.76 0.22 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.334 -1.098 . . . . 0.0 110.219 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 164.47 -77.04 0.15 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -108.8 156.07 20.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.34 -1.094 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 83.5 mt -96.83 159.95 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.373 -0.829 . . . . 0.0 110.184 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -89.06 133.39 34.38 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.355 -0.841 . . . . 0.0 110.254 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 89' ' ' PHE . 4.6 pt -76.72 -17.89 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.355 -0.84 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -57.11 14.03 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.243 -0.911 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -63.21 -41.19 99.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.306 -0.871 . . . . 0.0 110.202 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.792 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -67.88 -39.69 83.66 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.35 -0.844 . . . . 0.0 110.096 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.86 -31.53 72.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.351 -0.843 . . . . 0.0 110.212 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.64 -34.58 40.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.544 HD13 ' HG2' ' A' ' 124' ' ' MET . 10.3 mt -65.52 -32.78 74.57 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.397 -0.814 . . . . 0.0 110.198 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.482 HD21 ' HE1' ' A' ' 124' ' ' MET . 84.9 mt -80.04 -48.35 13.43 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.369 -0.832 . . . . 0.0 110.235 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.8 m -72.85 -64.27 1.0 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.388 -0.82 . . . . 0.0 110.191 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.224 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.163 0.506 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -73.17 -35.73 66.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.364 -0.835 . . . . 0.0 110.144 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -98.86 132.24 44.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.32 -0.863 . . . . 0.0 110.223 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 69' ' ' LEU . 5.9 mt -57.97 151.03 19.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.337 -0.852 . . . . 0.0 110.352 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -82.96 170.66 14.68 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.431 -0.793 . . . . 0.0 110.09 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.91 -40.95 95.07 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.288 -0.883 . . . . 0.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.83 -45.26 93.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.294 -0.879 . . . . 0.0 110.083 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 5.4 mm100 -67.9 -45.03 75.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 110.088 179.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.544 HD11 ' O ' ' A' ' 4' ' ' LEU . 64.9 mt -67.09 -29.11 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.307 -0.871 . . . . 0.0 110.031 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.24 -38.27 78.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.387 -0.821 . . . . 0.0 110.036 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -67.42 -47.38 70.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.421 -0.8 . . . . 0.0 110.189 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.441 ' HE2' HD22 ' A' ' 4' ' ' LEU . 22.4 m-85 -62.6 -35.33 79.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.349 -0.845 . . . . 0.0 109.99 179.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.63 -42.87 99.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.371 -0.831 . . . . 0.0 110.223 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.75 -46.34 88.51 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.337 -0.852 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.48 -27.82 62.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.287 -0.883 . . . . 0.0 110.294 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' A' ' 27' ' ' ILE . 8.8 t80 -79.29 -35.3 41.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.269 -0.894 . . . . 0.0 110.265 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.64 -28.32 60.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.865 . . . . 0.0 110.149 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 18' ' ' LEU . 18.4 mt -64.78 -36.61 84.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.387 -0.821 . . . . 0.0 110.174 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -99.96 23.71 9.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.389 -0.819 . . . . 0.0 110.183 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -133.98 161.09 35.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.32 -0.862 . . . . 0.0 110.138 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.89 8.92 26.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.455 -0.778 . . . . 0.0 110.598 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.11 25.42 3.23 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.287 -0.883 . . . . 0.0 110.589 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -118.44 -47.86 2.53 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.368 -0.832 . . . . 0.0 110.018 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -94.18 -27.71 16.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.298 -0.876 . . . . 0.0 110.09 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.24 46.22 7.09 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -160.0 153.63 22.59 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.318 -1.107 . . . . 0.0 110.305 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.57 HG23 ' CE1' ' A' ' 16' ' ' PHE . 38.8 pt -125.21 160.16 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.418 -0.801 . . . . 0.0 110.134 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -79.98 159.98 26.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.305 -0.872 . . . . 0.0 110.316 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -63.76 -40.09 95.86 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.43 -0.794 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 t -56.53 -26.89 56.13 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.437 -0.789 . . . . 0.0 110.401 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.832 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.9 mt-10 -90.78 -18.84 24.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.298 -0.876 . . . . 0.0 110.324 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 63' ' ' ILE . 60.9 tp -55.82 -52.39 64.16 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.28 -0.887 . . . . 0.0 110.373 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.03 82.89 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.345 -0.847 . . . . 0.0 110.153 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.3 m -68.09 -40.09 82.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 110.036 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 31' ' ' GLU . 92.0 t -61.12 -34.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.301 -0.874 . . . . 0.0 109.918 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.9 mtt -70.24 -39.23 75.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.455 -0.778 . . . . 0.0 109.903 179.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -63.72 -35.41 80.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.403 -0.811 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -34.86 52.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.386 -0.821 . . . . 0.0 110.057 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.71 -23.99 66.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.17 32.9 1.19 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.8 mt -122.21 178.28 5.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -1.117 . . . . 0.0 110.23 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -169.77 67.76 0.59 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.377 -0.827 . . . . 0.0 110.098 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.48 140.49 30.1 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.781 1.411 . . . . 0.0 110.572 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.06 168.99 2.92 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.357 -0.839 . . . . 0.0 110.047 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -59.96 -26.75 66.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.322 -0.861 . . . . 0.0 110.171 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.53 -42.64 70.95 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.418 -0.801 . . . . 0.0 110.086 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -65.56 -40.31 92.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.846 . . . . 0.0 109.989 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.5 t -63.11 -40.25 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.384 -0.822 . . . . 0.0 109.901 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -61.16 -42.88 99.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.414 -0.804 . . . . 0.0 110.021 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.35 -48.85 79.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.417 -0.802 . . . . 0.0 110.076 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.08 -44.42 95.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.383 -0.823 . . . . 0.0 109.988 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.5 mtt -68.0 -29.72 68.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.395 -0.816 . . . . 0.0 109.857 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.31 -37.2 86.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.416 -0.803 . . . . 0.0 109.819 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -77.49 -38.25 49.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.415 -0.803 . . . . 0.0 109.857 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.409 HG23 ' CD2' ' A' ' 61' ' ' HIS . 47.6 mt -81.75 -65.68 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.412 -0.805 . . . . 0.0 109.876 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -65.08 90.78 0.09 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.431 -0.793 . . . . 0.0 110.222 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.59 -60.11 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.34 -0.85 . . . . 0.0 110.095 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -101.77 -40.88 6.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.412 -0.805 . . . . 0.0 110.262 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.37 -32.07 0.18 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -116.91 107.62 14.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.289 -1.124 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.409 ' CD2' HG23 ' A' ' 55' ' ' ILE . 5.4 t60 -143.74 122.69 12.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.317 -0.864 . . . . 0.0 110.152 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -90.65 124.56 35.17 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.363 -0.836 . . . . 0.0 110.223 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.584 ' CD1' HD22 ' A' ' 32' ' ' LEU . 71.9 mt -82.32 130.75 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.352 -0.843 . . . . 0.0 110.166 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -91.03 159.96 15.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 0.0 110.132 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.818 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.0 t80 -58.91 -27.73 65.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.346 -0.846 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 t -69.76 -55.39 10.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.37 -0.831 . . . . 0.0 110.09 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.12 -32.51 73.91 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.321 -0.862 . . . . 0.0 110.082 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -66.32 -49.42 67.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.41 -0.806 . . . . 0.0 110.121 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.818 HD11 ' CE2' ' A' ' 65' ' ' PHE . 37.1 mt -59.91 -32.66 70.97 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.368 -0.833 . . . . 0.0 110.173 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.0 -49.79 41.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.445 -0.785 . . . . 0.0 110.092 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.46 -35.73 80.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.381 -0.825 . . . . 0.0 109.985 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.738 ' O ' HD12 ' A' ' 76' ' ' LEU . 89.3 mmm -66.8 -44.42 81.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.359 -0.838 . . . . 0.0 110.058 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 t -61.48 -42.56 98.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.409 -0.807 . . . . 0.0 110.034 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -62.52 -28.65 70.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 110.153 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -92.4 -29.69 16.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.452 -0.78 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 72' ' ' MET . 5.7 mt -87.16 -27.44 23.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.852 . . . . 0.0 110.364 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.23 110.58 21.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 110.138 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.5 t -114.68 -28.91 6.96 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.435 -0.791 . . . . 0.0 110.201 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -138.01 139.35 39.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.369 -0.832 . . . . 0.0 110.217 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.05 -166.47 2.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.384 -0.823 . . . . 0.0 110.187 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.4 m -72.72 -44.78 61.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.325 -0.86 . . . . 0.0 110.193 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 86' ' ' LEU . 12.1 pt-20 -57.49 -36.63 71.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.367 -0.833 . . . . 0.0 110.401 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -64.08 -42.76 96.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.342 -0.849 . . . . 0.0 110.153 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -59.95 -41.59 92.21 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.279 -0.888 . . . . 0.0 110.176 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.15 -49.46 77.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 109.868 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 82' ' ' GLU . 4.0 mt -67.21 -27.28 67.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.424 -0.797 . . . . 0.0 109.757 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.4 tt0 -70.25 -38.52 75.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.438 -0.789 . . . . 0.0 109.954 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.01 -44.66 53.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.389 -0.819 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.509 ' HB3' HD13 ' A' ' 137' ' ' ILE . 16.3 m-85 -62.9 -37.92 88.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.322 -0.861 . . . . 0.0 110.058 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -65.72 -43.56 88.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 110.109 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 87' ' ' GLU . 66.3 t -64.65 -27.48 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.415 -0.803 . . . . 0.0 110.064 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -78.84 -36.06 43.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.374 -0.829 . . . . 0.0 110.217 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.03 145.51 27.66 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.293 -0.879 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 96' ' ' GLY . 0.2 OUTLIER -72.12 144.19 48.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.362 -0.837 . . . . 0.0 110.218 179.896 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 65.28 -69.5 0.1 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.545 -0.722 . . . . 0.0 110.611 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 145.1 45.94 0.04 OUTLIER Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -45.03 14.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.307 -1.114 . . . . 0.0 110.211 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.23 32.37 4.33 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.2 mt -126.17 102.31 7.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -1.042 . . . . 0.0 110.236 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.9 pt -124.88 160.26 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.358 -0.839 . . . . 0.0 110.209 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.8 m -79.82 160.24 26.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.308 -0.87 . . . . 0.0 110.145 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.4 -30.77 41.77 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.317 -0.864 . . . . 0.0 110.478 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.15 -53.13 54.36 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.376 -0.827 . . . . 0.0 110.039 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.784 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.6 mt-10 -60.52 -40.47 91.59 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.342 -0.849 . . . . 0.0 110.031 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.78 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.8 OUTLIER -62.56 -39.83 94.9 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.354 -0.841 . . . . 0.0 110.129 179.913 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -65.03 -47.05 78.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.411 -0.805 . . . . 0.0 110.124 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -61.85 -28.45 69.5 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.415 -0.803 . . . . 0.0 110.157 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 104' ' ' GLU . 90.0 t -77.46 -44.01 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.399 -0.813 . . . . 0.0 110.158 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -32.7 70.52 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.349 -0.844 . . . . 0.0 110.272 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.8 m -79.93 -32.63 40.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.381 -0.825 . . . . 0.0 110.217 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -72.38 -38.37 68.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 0.0 110.264 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.641 HD11 HG12 ' A' ' 108' ' ' VAL . 57.0 mt -63.54 -27.23 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.319 -0.863 . . . . 0.0 110.122 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.12 40.25 11.76 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 116' ' ' LEU . 3.2 mm-40 -85.31 4.07 36.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.398 -1.06 . . . . 0.0 110.571 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.585 ' O ' ' C ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER 67.69 -64.48 0.27 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.446 -0.784 . . . . 0.0 110.343 -179.643 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.585 ' C ' ' O ' ' A' ' 115' ' ' LYS . 15.3 mt 11.77 98.14 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 121.218 0.532 . . . . 0.0 112.334 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.4 p -56.72 165.64 1.14 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.335 -0.853 . . . . 0.0 110.27 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -60.24 -30.37 69.37 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.305 -0.872 . . . . 0.0 110.202 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.18 -32.54 73.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.349 -0.845 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.434 ' HB3' HD22 ' A' ' 116' ' ' LEU . 5.1 mm-40 -66.9 -52.0 48.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.379 -0.826 . . . . 0.0 110.115 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.423 HG12 HD12 ' A' ' 125' ' ' LEU . 93.8 t -61.55 -27.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.93 179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -69.72 -47.79 61.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.378 -0.826 . . . . 0.0 109.954 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.81 -37.21 81.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.327 -0.858 . . . . 0.0 109.971 179.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.619 ' HE1' HD21 ' A' ' 144' ' ' LEU . 1.6 mtp -71.4 -36.72 71.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.418 -0.801 . . . . 0.0 109.93 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.423 HD12 HG12 ' A' ' 121' ' ' VAL . 7.4 mt -61.54 -43.27 99.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.444 -0.785 . . . . 0.0 110.021 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -55.13 -48.94 72.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.362 -0.836 . . . . 0.0 109.763 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -69.87 -21.9 63.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.775 . . . . 0.0 109.677 179.15 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.715 HG11 ' HD2' ' A' ' 140' ' ' PHE . 82.9 t -112.2 50.77 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.237 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.0 p -146.84 28.05 1.05 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.932 -1.105 . . . . 0.0 110.331 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.74 58.01 1.62 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.37 -0.832 . . . . 0.0 110.182 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -135.62 -88.93 0.27 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.5 t -166.25 -68.1 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.296 -1.12 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.81 30.51 1.24 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -155.06 160.11 40.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.343 -1.092 . . . . 0.0 110.137 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.612 HG23 HG12 ' A' ' 128' ' ' VAL . 83.8 mt -133.35 159.64 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.374 -0.829 . . . . 0.0 110.153 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -104.53 141.19 36.83 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.395 -0.816 . . . . 0.0 110.257 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.509 HD13 ' HB3' ' A' ' 89' ' ' PHE . 13.0 pt -80.04 -20.24 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.404 -0.81 . . . . 0.0 110.613 -179.841 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.49 -66.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.111 -0.993 . . . . 0.0 110.428 -179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.696 HE21 HG13 ' A' ' 128' ' ' VAL . 9.7 pt20 -55.38 -44.01 75.68 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.222 -0.923 . . . . 0.0 110.528 -179.79 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.78 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 1.4 t80 -61.09 -51.29 69.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -0.865 . . . . 0.0 110.08 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.27 -28.79 67.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.384 -0.822 . . . . 0.0 110.132 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.52 -38.4 55.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.451 -0.781 . . . . 0.0 109.996 179.831 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.14 -37.06 81.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 110.086 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.619 HD21 ' HE1' ' A' ' 124' ' ' MET . 87.7 mt -73.28 -24.3 60.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.433 -0.792 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 20.9 m -80.83 -74.89 0.3 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 110.233 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.234 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.2 p . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.222 0.534 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -130.93 -55.17 1.05 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.174 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -90.19 137.87 31.99 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.451 -0.781 . . . . 0.0 110.204 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.698 HD22 ' HE2' ' A' ' 12' ' ' PHE . 10.9 mt -58.66 161.44 4.69 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.358 -0.838 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -103.98 168.5 9.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.382 -0.824 . . . . 0.0 110.201 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.0 -42.85 81.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.385 -0.822 . . . . 0.0 110.287 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.0 -48.65 79.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.395 -0.816 . . . . 0.0 109.696 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.435 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.3 mt-30 -65.22 -46.78 79.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.452 -0.78 . . . . 0.0 109.809 179.565 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.5 mt -62.12 -28.42 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 109.919 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.65 77.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.293 -0.879 . . . . 0.0 109.748 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.5 -49.67 65.79 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.403 -0.811 . . . . 0.0 110.292 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.698 ' HE2' HD22 ' A' ' 4' ' ' LEU . 15.1 m-85 -60.55 -31.3 70.41 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.232 -0.918 . . . . 0.0 109.671 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.7 ttmm -65.55 -43.16 90.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.459 -0.776 . . . . 0.0 110.08 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.23 -44.15 97.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.442 -0.786 . . . . 0.0 110.17 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.58 -28.3 61.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.355 -0.84 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -77.23 -41.82 39.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.216 -0.927 . . . . 0.0 110.152 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.56 -27.71 64.34 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.374 -0.829 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 18' ' ' LEU . 15.7 mt -65.3 -31.5 72.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -103.48 25.04 10.14 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.278 -0.889 . . . . 0.0 110.407 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -112.45 -88.96 0.53 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.268 -0.895 . . . . 0.0 110.046 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp 50.02 77.99 0.11 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.135 -0.978 . . . . 0.0 110.657 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -162.55 -68.04 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.355 -0.84 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -168.35 -64.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 0.0 110.24 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -103.62 156.12 18.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.327 -0.858 . . . . 0.0 110.218 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 92.21 0.12 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p -158.75 144.51 16.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -1.127 . . . . 0.0 110.264 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.8 pt -130.18 158.99 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.32 -0.863 . . . . 0.0 110.203 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 m -84.59 159.93 20.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.391 -0.818 . . . . 0.0 110.136 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -34.99 76.1 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.432 -0.793 . . . . 0.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -27.01 62.14 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.389 -0.819 . . . . 0.0 110.43 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.805 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.9 mt-10 -93.87 -19.32 21.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.493 HD11 ' CE ' ' A' ' 36' ' ' MET . 48.8 tp -52.66 -56.22 17.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.274 -0.891 . . . . 0.0 110.496 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.38 79.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.314 -0.866 . . . . 0.0 110.185 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.1 m -69.31 -40.03 77.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.298 -0.876 . . . . 0.0 110.143 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 31' ' ' GLU . 87.0 t -61.61 -32.49 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.385 -0.822 . . . . 0.0 109.831 179.843 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 32' ' ' LEU . 13.8 mtt -74.12 -35.75 64.15 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.406 -0.809 . . . . 0.0 109.788 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -34.23 77.92 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.475 -0.765 . . . . 0.0 110.1 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -78.45 -34.96 47.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.425 -0.797 . . . . 0.0 110.178 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 39' ' ' LEU . 11.9 mt -67.21 -24.97 65.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 110.254 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.14 36.67 0.85 Allowed Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.1 mt -121.64 172.76 7.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.309 -1.113 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -166.25 67.6 1.05 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.366 -0.834 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.45 138.5 24.57 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.767 1.404 . . . . 0.0 110.447 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -61.12 169.88 1.87 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.294 -0.879 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.48 -28.95 67.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.279 -0.888 . . . . 0.0 110.102 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.57 68.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.357 -0.839 . . . . 0.0 109.923 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.79 -40.29 96.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.316 -0.865 . . . . 0.0 109.898 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.82 -47.59 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.381 -0.824 . . . . 0.0 109.857 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -44.98 69.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.32 -0.863 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -57.16 -47.45 81.18 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.299 -0.876 . . . . 0.0 109.936 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.63 -51.88 56.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.483 -0.761 . . . . 0.0 109.821 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -63.7 -24.37 67.75 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.398 -0.814 . . . . 0.0 110.114 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -69.66 -39.51 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.881 . . . . 0.0 109.596 179.512 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -77.21 -33.52 56.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.364 -0.835 . . . . 0.0 109.776 179.6 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.413 HG23 ' CD2' ' A' ' 61' ' ' HIS . 31.1 mt -87.73 -65.15 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.438 -0.789 . . . . 0.0 109.694 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.41 96.74 0.17 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.439 -0.788 . . . . 0.0 110.124 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' ILE . 89.5 t -82.06 -38.16 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.303 -0.873 . . . . 0.0 110.199 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.78 51.42 1.82 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.326 -0.859 . . . . 0.0 110.276 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.39 25.59 67.01 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -169.03 119.03 0.71 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.281 -1.129 . . . . 0.0 110.14 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.413 ' CD2' HG23 ' A' ' 55' ' ' ILE . 6.9 t60 -168.94 125.52 0.95 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.272 -0.892 . . . . 0.0 110.254 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -89.58 118.0 28.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.381 -0.824 . . . . 0.0 110.043 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.8 mt -79.94 136.94 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.397 -0.814 . . . . 0.0 110.238 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.87 160.27 14.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.417 -0.802 . . . . 0.0 110.034 179.824 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 69' ' ' LEU . 7.7 t80 -56.67 -45.17 81.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 110.544 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.5 p -57.49 -44.86 85.29 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.292 -0.88 . . . . 0.0 110.106 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.628 ' O ' HD12 ' A' ' 71' ' ' LEU . 50.1 mt-10 -66.61 -39.53 88.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.377 -0.827 . . . . 0.0 109.585 179.643 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 72' ' ' MET . 49.6 t80 -62.26 -58.31 8.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.593 -0.692 . . . . 0.0 110.081 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.785 HD11 ' CE2' ' A' ' 65' ' ' PHE . 82.9 mt -53.11 -30.75 38.28 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.19 -0.944 . . . . 0.0 110.297 -179.622 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.14 -48.71 12.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.296 -0.877 . . . . 0.0 110.07 179.563 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 67' ' ' GLU . 5.8 mt -73.82 -30.6 62.8 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.373 -0.83 . . . . 0.0 109.635 179.577 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.602 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -77.14 -36.2 55.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.594 -0.691 . . . . 0.0 109.693 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.436 ' HB2' HD11 ' A' ' 4' ' ' LEU . 19.7 t -70.28 -35.39 73.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.604 -0.685 . . . . 0.0 110.021 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 0.4 OUTLIER -63.5 -38.85 92.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.412 -0.805 . . . . 0.0 109.846 179.865 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 2.6 mm-40 -67.24 -41.47 85.6 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.499 -0.751 . . . . 0.0 110.121 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 72' ' ' MET . 2.4 mt -66.86 -27.96 67.95 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.234 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.72 143.33 56.37 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.345 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -167.95 131.08 1.59 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.415 -0.803 . . . . 0.0 110.079 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -159.0 91.94 1.07 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.325 -0.859 . . . . 0.0 110.198 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -169.01 165.47 11.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.265 -0.897 . . . . 0.0 110.242 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -61.42 2.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.399 -0.813 . . . . 0.0 110.154 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.8 -34.48 67.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.371 -0.83 . . . . 0.0 110.259 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -66.99 -36.91 83.23 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.346 -0.846 . . . . 0.0 110.001 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.14 -47.15 83.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.417 -0.802 . . . . 0.0 110.076 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.2 -41.25 98.19 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.373 -0.829 . . . . 0.0 110.074 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.88 -35.06 78.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.39 -0.819 . . . . 0.0 110.126 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -65.36 -48.68 72.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.339 -0.851 . . . . 0.0 110.06 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.37 -47.38 85.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.356 -0.84 . . . . 0.0 110.24 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.623 ' HB3' HD13 ' A' ' 137' ' ' ILE . 13.7 m-85 -61.8 -26.79 68.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.339 -0.851 . . . . 0.0 110.186 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -76.81 -41.04 45.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.332 -0.855 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 87' ' ' GLU . 79.4 t -60.96 -41.53 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.379 -0.825 . . . . 0.0 110.141 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.535 ' CZ ' HG22 ' A' ' 108' ' ' VAL . 11.0 m-85 -65.4 -26.47 68.0 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.419 -0.801 . . . . 0.0 110.208 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.99 166.15 21.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.334 -0.853 . . . . 0.0 110.169 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -133.27 30.44 3.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.377 -0.827 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -135.27 -51.17 0.76 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.44 -0.788 . . . . 0.0 110.246 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.04 -30.69 3.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -64.88 -48.13 75.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -1.088 . . . . 0.0 110.241 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.68 66.25 0.34 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 134' ' ' GLU . 4.5 mt -134.17 104.11 6.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.401 -1.058 . . . . 0.0 110.232 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 105' ' ' LEU . 35.8 pt -115.53 160.4 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.853 . . . . 0.0 110.222 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.5 m -79.59 160.2 26.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.848 . . . . 0.0 110.257 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.89 -37.52 63.82 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.334 -0.854 . . . . 0.0 110.467 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.19 58.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.832 . . . . 0.0 110.126 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.746 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.9 mt-10 -60.47 -27.72 67.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.325 -0.859 . . . . 0.0 110.145 179.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.847 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -68.48 -45.47 72.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.393 -0.817 . . . . 0.0 110.089 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -66.2 -32.4 73.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.386 -0.821 . . . . 0.0 110.079 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -70.77 -31.39 68.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.41 -0.806 . . . . 0.0 110.143 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 104' ' ' GLU . 69.4 t -77.65 -45.26 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.375 -0.828 . . . . 0.0 110.028 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.447 HD22 ' CD1' ' A' ' 116' ' ' LEU . 25.2 mt -61.79 -32.21 72.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.318 -0.864 . . . . 0.0 110.151 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.9 m -80.1 -31.67 39.2 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.359 -0.838 . . . . 0.0 110.217 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 t -71.07 -38.95 72.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.299 -0.876 . . . . 0.0 110.12 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.43 -27.9 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.384 -0.822 . . . . 0.0 110.147 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.69 29.07 24.91 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.27 165.51 23.52 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.299 -1.118 . . . . 0.0 110.058 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -102.71 49.73 0.83 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.304 -0.872 . . . . 0.0 110.226 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.804 HD11 HD22 ' A' ' 144' ' ' LEU . 16.9 mt -95.62 103.39 15.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.888 . . . . 0.0 110.158 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -59.53 166.89 2.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.429 -0.795 . . . . 0.0 110.255 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -30.97 71.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.386 -0.821 . . . . 0.0 110.246 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.76 88.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.379 -0.825 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -67.19 -52.17 44.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.426 -0.796 . . . . 0.0 110.147 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.483 HG12 ' CD1' ' A' ' 125' ' ' LEU . 58.5 t -62.82 -28.85 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.438 -0.789 . . . . 0.0 110.043 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.54 -42.82 64.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.376 -0.828 . . . . 0.0 110.183 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.9 -28.71 62.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.312 -0.868 . . . . 0.0 110.191 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.584 ' O ' HG23 ' A' ' 128' ' ' VAL . 4.6 mtp -78.25 -42.09 32.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.345 -0.847 . . . . 0.0 110.205 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.57 HD21 HD22 ' A' ' 105' ' ' LEU . 54.5 mt -66.5 -33.51 75.86 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.304 -0.873 . . . . 0.0 110.181 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -67.03 -40.8 87.27 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.425 -0.797 . . . . 0.0 110.226 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -79.88 -32.5 40.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.296 -0.877 . . . . 0.0 110.245 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.648 ' CG1' HG23 ' A' ' 135' ' ' ILE . 67.0 t -82.32 -58.17 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.071 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.3 t -63.22 127.36 30.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.139 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.28 44.7 2.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.315 -0.865 . . . . 0.0 110.327 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.07 80.7 0.21 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.5 m -160.01 -42.73 0.05 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -1.059 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.62 25.2 11.02 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.4 ' HB3' HD22 ' A' ' 99' ' ' LEU . 3.9 mt-10 -160.2 137.62 9.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.433 -1.039 . . . . 0.0 110.129 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.648 HG23 ' CG1' ' A' ' 128' ' ' VAL . 83.0 mt -130.1 134.54 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.282 -0.886 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -79.97 129.66 34.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 110.217 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.623 HD13 ' HB3' ' A' ' 89' ' ' PHE . 6.3 pt -69.44 -12.22 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.412 -0.805 . . . . 0.0 110.699 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.43 -66.95 0.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.185 -0.947 . . . . 0.0 110.251 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -55.71 -43.18 76.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.332 -0.855 . . . . 0.0 110.669 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.847 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.79 -45.32 94.86 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.285 -0.885 . . . . 0.0 110.09 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.45 72.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.377 -0.827 . . . . 0.0 110.128 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.93 -34.24 57.67 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.033 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.23 -35.2 79.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.371 -0.83 . . . . 0.0 110.107 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.804 HD22 HD11 ' A' ' 116' ' ' LEU . 89.2 mt -79.93 -32.53 40.09 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.322 -0.861 . . . . 0.0 110.187 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.6 t -74.75 134.88 41.78 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.399 -0.813 . . . . 0.0 110.177 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.275 179.944 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.24 0.543 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 p -150.29 -166.03 2.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.299 -0.875 . . . . 0.0 110.142 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.0 163.14 10.24 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.355 -0.841 . . . . 0.0 110.154 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.523 ' O ' HD11 ' A' ' 9' ' ' ILE . 12.3 mt -59.82 132.84 55.18 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.292 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p -80.46 175.08 10.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 0.0 110.171 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -60.39 -36.44 78.09 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.321 -0.862 . . . . 0.0 110.195 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.21 -52.38 63.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.3 -0.875 . . . . 0.0 110.052 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -63.29 -43.49 97.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.306 -0.872 . . . . 0.0 110.09 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.523 HD11 ' O ' ' A' ' 4' ' ' LEU . 70.1 mt -66.55 -34.34 69.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -0.901 . . . . 0.0 109.873 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.67 84.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.362 -0.836 . . . . 0.0 109.976 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.38 -49.58 59.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.449 -0.782 . . . . 0.0 109.983 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' HE2' HD22 ' A' ' 4' ' ' LEU . 23.8 m-85 -62.16 -35.3 78.37 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.383 -0.823 . . . . 0.0 109.876 179.76 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HE2' ' CZ ' ' A' ' 65' ' ' PHE . 11.7 ttmm -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.433 -0.792 . . . . 0.0 110.181 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.37 -51.27 68.26 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.323 -0.86 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.26 82.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.362 -0.836 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.844 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.6 t80 -68.59 -46.95 68.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.315 -0.865 . . . . 0.0 110.232 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -27.54 69.39 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.307 -0.871 . . . . 0.0 110.276 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.77 -35.52 80.87 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.437 -0.789 . . . . 0.0 110.21 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.73 27.94 8.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.339 -0.851 . . . . 0.0 110.328 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -97.06 78.91 2.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 110.211 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -63.2 -29.09 70.5 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.367 -0.833 . . . . 0.0 110.134 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.35 -15.59 59.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.398 -0.814 . . . . 0.0 110.415 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 54.1 25.95 6.09 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.186 -0.947 . . . . 0.0 110.404 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -115.72 -31.73 5.73 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.332 -0.855 . . . . 0.0 110.224 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.49 45.76 0.17 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -159.2 136.07 9.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -1.053 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.844 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -124.55 159.94 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.415 -0.803 . . . . 0.0 110.16 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.71 160.01 25.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.412 -0.805 . . . . 0.0 110.221 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -28.01 68.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.363 -0.836 . . . . 0.0 110.188 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -36.5 80.81 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.381 -0.824 . . . . 0.0 110.136 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.9 mt-10 -83.86 -15.7 47.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.848 . . . . 0.0 110.441 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 tp -54.02 -51.04 65.25 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.263 -0.898 . . . . 0.0 110.482 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.4 91.1 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.301 -0.874 . . . . 0.0 110.135 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.5 m -68.24 -38.45 81.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.339 -0.851 . . . . 0.0 110.181 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.5 t -62.74 -35.08 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.35 -0.844 . . . . 0.0 109.904 179.847 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.7 mtt -72.69 -34.42 67.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.285 -0.884 . . . . 0.0 110.008 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -67.5 -34.88 78.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.404 -0.81 . . . . 0.0 110.167 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -80.12 -33.44 38.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.366 -0.833 . . . . 0.0 110.249 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.579 HD13 ' CE ' ' A' ' 72' ' ' MET . 13.2 mt -63.25 -22.07 66.64 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.368 -0.832 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.78 29.66 1.99 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.7 mt -124.28 178.89 5.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.364 -1.08 . . . . 0.0 110.193 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.4 p -167.38 67.81 0.88 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.389 -0.819 . . . . 0.0 110.174 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.1 139.38 29.58 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.72 1.379 . . . . 0.0 110.377 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.5 167.34 2.64 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.335 -0.853 . . . . 0.0 110.056 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -58.87 -27.58 65.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.293 -0.879 . . . . 0.0 110.23 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.58 -43.65 80.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.365 -0.834 . . . . 0.0 110.031 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -66.93 -39.89 87.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 0.0 110.089 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.74 -37.01 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.327 -0.858 . . . . 0.0 109.871 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -66.97 -35.98 81.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.338 -0.851 . . . . 0.0 110.153 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.93 -44.27 90.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.385 -0.822 . . . . 0.0 110.077 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.608 HD23 HD22 ' A' ' 71' ' ' LEU . 5.6 mt -69.41 -37.15 77.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.34 -0.85 . . . . 0.0 110.089 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.7 mtt -68.87 -31.01 69.65 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.392 -0.818 . . . . 0.0 110.093 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -70.24 -44.54 68.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 110.14 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.67 -27.96 67.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.373 -0.829 . . . . 0.0 110.088 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.535 ' O ' HG13 ' A' ' 57' ' ' VAL . 2.7 mt -88.02 -53.41 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.837 . . . . 0.0 110.081 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -51.53 114.07 1.15 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.12 -0.988 . . . . 0.0 110.639 -179.604 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.01 HG22 ' HB2' ' A' ' 61' ' ' HIS . 8.4 m -119.07 -33.72 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.398 -0.814 . . . . 0.0 110.509 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.84 14.98 4.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.409 -0.807 . . . . 0.0 110.225 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.45 -6.67 49.86 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -165.7 50.32 0.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.059 -1.259 . . . . 0.0 111.125 -179.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 1.01 ' HB2' HG22 ' A' ' 57' ' ' VAL . 3.2 t-160 -64.28 120.59 12.46 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.107 -0.995 . . . . 0.0 109.367 179.167 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -79.15 121.75 25.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.29 -0.881 . . . . 0.0 109.936 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.432 ' CD1' HD13 ' A' ' 55' ' ' ILE . 77.4 mt -79.77 126.01 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.831 . . . . 0.0 110.333 -179.587 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.5 160.17 16.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.483 -0.76 . . . . 0.0 109.946 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.809 ' CE2' HD11 ' A' ' 69' ' ' LEU . 14.5 t80 -55.12 -25.87 34.64 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.31 -0.868 . . . . 0.0 110.433 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 t -70.92 -57.74 4.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.911 . . . . 0.0 110.043 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -63.04 -29.75 71.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.462 -0.774 . . . . 0.0 110.137 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.45 -48.63 64.03 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.336 -0.852 . . . . 0.0 110.073 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.809 HD11 ' CE2' ' A' ' 65' ' ' PHE . 38.7 mt -59.66 -34.32 72.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.242 -0.911 . . . . 0.0 109.952 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.22 -51.2 26.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -0.834 . . . . 0.0 110.087 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.608 HD22 HD23 ' A' ' 51' ' ' LEU . 59.0 mt -62.45 -29.45 70.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.383 -0.823 . . . . 0.0 110.069 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.619 ' O ' HD12 ' A' ' 76' ' ' LEU . 81.9 mmm -74.67 -36.49 62.81 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.354 -0.842 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.6 t -65.63 -36.75 84.61 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 0.0 110.198 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -68.12 -38.85 82.71 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.378 -0.826 . . . . 0.0 109.869 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 19.2 mm-40 -75.58 -44.51 42.78 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.499 -0.751 . . . . 0.0 110.175 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 72' ' ' MET . 4.6 mt -66.18 -27.41 67.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.27 -0.894 . . . . 0.0 110.191 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -103.26 -165.3 1.15 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.365 -0.835 . . . . 0.0 110.165 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.0 p -98.95 127.98 45.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.348 -0.845 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.07 71.76 7.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.334 -0.854 . . . . 0.0 110.21 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.92 -37.48 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.372 -0.83 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.4 p -52.72 -32.33 42.45 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.319 -0.863 . . . . 0.0 110.524 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.55 -58.51 7.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.249 -0.907 . . . . 0.0 110.095 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -60.82 -29.56 69.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.315 -0.866 . . . . 0.0 110.043 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.65 -39.68 80.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.415 -0.803 . . . . 0.0 109.957 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mt -63.59 -47.86 79.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.393 -0.817 . . . . 0.0 110.073 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.62 -29.31 70.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.456 -0.777 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.1 -46.75 64.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.364 -0.835 . . . . 0.0 110.07 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.9 95.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.311 -0.868 . . . . 0.0 110.062 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.74 ' HB3' HD13 ' A' ' 137' ' ' ILE . 6.6 m-85 -62.53 -30.9 71.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.368 -0.833 . . . . 0.0 110.085 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -67.18 -43.73 81.43 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.404 -0.81 . . . . 0.0 110.129 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.72 -38.24 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -0.839 . . . . 0.0 109.969 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -76.44 -21.12 56.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.424 -0.798 . . . . 0.0 110.347 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -58.78 171.21 0.68 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.274 -0.891 . . . . 0.0 110.308 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -69.7 0.54 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.382 -0.824 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -111.23 -62.83 1.49 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.302 -0.874 . . . . 0.0 110.188 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.18 40.63 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.82 -55.89 2.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -1.1 . . . . 0.0 110.141 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.1 49.16 0.19 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 81.7 mt -132.45 109.72 10.01 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -1.069 . . . . 0.0 110.175 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 pt -131.4 159.56 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.389 -0.819 . . . . 0.0 110.254 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 m -79.86 160.24 26.13 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.385 -0.822 . . . . 0.0 110.267 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.08 -27.74 34.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.388 -0.82 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.46 -52.75 42.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.374 -0.829 . . . . 0.0 110.045 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 108' ' ' VAL . 33.6 mt-10 -62.8 -38.93 92.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.392 -0.817 . . . . 0.0 110.019 179.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.761 HD21 ' CE1' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -65.77 -36.43 83.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.42 -0.8 . . . . 0.0 110.164 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -68.77 -35.39 77.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.407 -0.808 . . . . 0.0 110.161 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -69.98 -31.9 69.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.358 -0.839 . . . . 0.0 110.173 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 104' ' ' GLU . 68.6 t -74.38 -38.54 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.288 -0.882 . . . . 0.0 110.085 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.3 -28.77 65.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.391 -0.818 . . . . 0.0 110.145 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.6 m -79.7 -43.23 23.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.351 -0.843 . . . . 0.0 110.17 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.0 m -61.55 -44.01 97.82 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.369 -0.832 . . . . 0.0 110.136 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.1 -27.21 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.303 -0.873 . . . . 0.0 110.071 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.19 31.5 52.0 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.58 175.83 0.43 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.339 -1.095 . . . . 0.0 110.243 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -100.94 60.38 0.94 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.354 -0.841 . . . . 0.0 110.217 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.646 HD11 ' CD2' ' A' ' 144' ' ' LEU . 50.7 mt -127.08 116.48 20.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.282 -0.886 . . . . 0.0 110.251 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.0 p -77.9 -179.21 5.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.407 -0.808 . . . . 0.0 110.123 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.97 -38.46 88.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.351 -0.843 . . . . 0.0 110.151 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.93 87.48 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.41 -0.806 . . . . 0.0 110.091 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -66.59 -51.37 57.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.336 -0.852 . . . . 0.0 110.055 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.415 HG12 HD12 ' A' ' 125' ' ' LEU . 87.9 t -62.26 -27.29 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 109.98 179.835 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -69.25 -44.91 70.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.312 -0.868 . . . . 0.0 110.005 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.47 -35.17 68.15 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.414 -0.804 . . . . 0.0 110.109 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.62 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.2 ttp -72.77 -28.79 62.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.396 -0.815 . . . . 0.0 110.046 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.415 HD12 HG12 ' A' ' 121' ' ' VAL . 9.7 mt -73.3 -43.36 61.08 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.366 -0.834 . . . . 0.0 110.203 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -66.82 -33.12 74.92 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 110.244 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.02 -29.74 39.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.364 -0.835 . . . . 0.0 110.426 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.687 HG13 ' NE2' ' A' ' 139' ' ' GLN . 80.7 t -93.72 -52.53 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.335 -0.853 . . . . 0.0 110.293 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.5 t -61.02 112.26 2.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.394 -0.816 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.84 -38.76 2.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.68 -102.16 0.01 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.1 m -142.14 -65.52 0.41 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.332 -1.099 . . . . 0.0 110.236 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -138.59 40.94 1.41 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -144.36 117.3 8.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.414 -1.051 . . . . 0.0 110.107 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 70.8 mt -116.37 147.84 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.297 -0.877 . . . . 0.0 110.171 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -91.11 137.84 32.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 0.0 110.069 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.74 HD13 ' HB3' ' A' ' 89' ' ' PHE . 2.0 pt -74.4 -18.46 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.385 -0.822 . . . . 0.0 110.45 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -61.1 -65.0 0.76 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.294 -0.879 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.687 ' NE2' HG13 ' A' ' 128' ' ' VAL . 6.3 pt20 -54.89 -42.81 72.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.347 -0.846 . . . . 0.0 110.495 -179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.761 ' CE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.16 -43.75 98.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.358 -0.839 . . . . 0.0 110.122 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.95 -32.37 72.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.383 -0.823 . . . . 0.0 110.123 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.5 -43.42 76.88 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.432 -0.792 . . . . 0.0 110.086 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.62 HD13 ' CG ' ' A' ' 124' ' ' MET . 5.2 mt -62.32 -33.98 75.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.297 -0.877 . . . . 0.0 110.096 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.646 ' CD2' HD11 ' A' ' 116' ' ' LEU . 88.4 mt -79.84 -37.93 33.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.416 -0.803 . . . . 0.0 110.105 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.6 m -86.39 -157.78 0.37 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.315 -0.866 . . . . 0.0 110.172 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.174 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.1 t . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.248 0.547 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.82 -10.42 17.39 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.317 -0.864 . . . . 0.0 110.524 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -58.09 107.52 0.49 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.911 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.569 HD22 ' HE2' ' A' ' 12' ' ' PHE . 35.1 mt -80.11 132.89 36.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.359 -0.838 . . . . 0.0 110.38 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p -88.16 178.95 6.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 109.973 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.83 -36.22 82.5 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.323 -0.861 . . . . 0.0 110.112 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -69.4 -37.97 77.74 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.285 -0.885 . . . . 0.0 110.016 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -70.61 -44.41 67.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.425 -0.797 . . . . 0.0 110.018 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.4 mt -66.31 -32.16 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.4 -0.812 . . . . 0.0 109.848 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.69 71.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.415 -0.803 . . . . 0.0 109.98 179.7 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -50.14 63.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.409 -0.807 . . . . 0.0 109.967 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.569 ' HE2' HD22 ' A' ' 4' ' ' LEU . 25.3 m-85 -60.7 -35.15 75.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.33 -0.856 . . . . 0.0 110.05 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -63.52 -39.25 93.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.373 -0.829 . . . . 0.0 109.968 179.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.22 -53.57 50.96 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.413 -0.804 . . . . 0.0 110.065 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.7 88.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.0 109.983 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.592 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.7 t80 -67.39 -42.32 83.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.379 -0.826 . . . . 0.0 109.942 179.754 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.69 -31.51 71.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.419 -0.801 . . . . 0.0 110.153 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.11 -30.66 70.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.841 . . . . 0.0 110.06 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.44 ' O ' HG22 ' A' ' 27' ' ' ILE . 92.4 m-85 -109.45 21.6 16.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.389 -0.819 . . . . 0.0 110.285 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -98.03 115.1 27.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.353 -0.842 . . . . 0.0 110.141 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -20.82 9.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.378 -0.826 . . . . 0.0 110.484 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.31 -83.27 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.212 -0.93 . . . . 0.0 110.238 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -173.28 -63.13 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.12 -0.987 . . . . 0.0 110.344 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -74.82 -66.68 0.72 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.305 -0.872 . . . . 0.0 110.377 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 176.33 87.78 0.07 OUTLIER Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 p -143.88 118.64 9.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.369 -1.077 . . . . 0.0 110.185 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.592 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.3 pt -117.06 159.19 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.387 -0.821 . . . . 0.0 110.338 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 m -84.01 160.19 21.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.369 -0.832 . . . . 0.0 110.343 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -59.78 -41.18 90.54 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.35 -0.844 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.46 -27.14 46.39 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.282 -0.886 . . . . 0.0 110.373 -179.741 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.852 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.0 mt-10 -91.01 -16.24 28.27 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.32 -0.863 . . . . 0.0 110.434 179.786 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.01 -55.89 28.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.206 -0.934 . . . . 0.0 110.359 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.66 -31.53 69.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.425 -0.797 . . . . 0.0 110.099 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.7 m -72.45 -38.0 68.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.461 -0.775 . . . . 0.0 109.995 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 31' ' ' GLU . 80.8 t -62.51 -38.19 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.4 -0.812 . . . . 0.0 109.832 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.0 mtt -71.89 -34.44 69.16 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.4 -0.813 . . . . 0.0 109.869 179.724 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.04 73.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.412 -0.805 . . . . 0.0 110.151 179.874 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.73 -31.43 41.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 110.112 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD13 ' HE2' ' A' ' 72' ' ' MET . 5.9 mt -71.07 -26.39 63.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.323 -0.86 . . . . 0.0 110.257 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.06 39.2 0.53 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 mt -123.78 174.44 7.5 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.402 -1.058 . . . . 0.0 110.085 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.9 62.62 0.68 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.303 -0.873 . . . . 0.0 110.178 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.05 137.92 27.29 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 O-C-N 123.705 1.371 . . . . 0.0 110.4 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.61 169.82 1.23 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.364 -0.835 . . . . 0.0 110.073 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -28.28 66.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.325 -0.859 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.39 82.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.367 -0.833 . . . . 0.0 110.042 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.94 -42.51 94.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.324 -0.86 . . . . 0.0 109.932 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.85 -40.69 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.426 -0.797 . . . . 0.0 109.87 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -61.73 -37.16 83.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -62.73 -50.18 72.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.085 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD23 HD22 ' A' ' 71' ' ' LEU . 10.1 mt -62.47 -43.88 97.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.3 -0.875 . . . . 0.0 109.99 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.0 mtt -67.54 -39.62 85.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.421 -0.799 . . . . 0.0 110.084 179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -63.69 -26.72 68.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 109.984 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.66 -28.19 30.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.248 -0.908 . . . . 0.0 109.791 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.481 HD13 HD11 ' A' ' 63' ' ' ILE . 4.4 mt -84.29 -50.98 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 110.128 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' C ' HG23 ' A' ' 57' ' ' VAL . 28.5 p-10 -63.27 144.92 56.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.295 -0.878 . . . . 0.0 110.637 -179.565 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 56' ' ' ASP . 66.0 t -146.23 -49.97 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.351 -0.843 . . . . 0.0 109.906 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -126.71 16.62 7.49 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.438 -0.789 . . . . 0.0 110.32 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.34 -29.7 11.83 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -120.76 124.22 44.59 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.35 -1.088 . . . . 0.0 110.404 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -170.63 99.9 0.24 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.396 -0.815 . . . . 0.0 110.138 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -80.91 137.68 36.14 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.362 -0.836 . . . . 0.0 110.195 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.481 HD11 HD13 ' A' ' 55' ' ' ILE . 83.3 mt -84.1 120.51 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.402 -0.811 . . . . 0.0 110.137 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -86.99 160.11 18.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.314 -0.866 . . . . 0.0 110.063 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.67 ' CE2' HD11 ' A' ' 69' ' ' LEU . 17.0 t80 -56.27 -27.19 54.39 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.287 -0.883 . . . . 0.0 110.327 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.6 p -69.1 -55.78 9.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.302 -0.874 . . . . 0.0 110.027 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.1 -30.42 71.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.378 -0.826 . . . . 0.0 110.006 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -66.45 -48.43 69.96 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.385 -0.822 . . . . 0.0 110.079 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.67 HD11 ' CE2' ' A' ' 65' ' ' PHE . 35.8 mt -59.24 -42.76 91.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.396 -0.815 . . . . 0.0 110.153 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.0 96.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.372 -0.83 . . . . 0.0 110.009 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.549 HD22 HD23 ' A' ' 51' ' ' LEU . 55.7 mt -62.1 -41.34 98.11 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.418 -0.801 . . . . 0.0 109.991 179.809 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.669 ' O ' HD12 ' A' ' 76' ' ' LEU . 96.3 mmm -63.76 -34.87 78.85 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.43 -0.794 . . . . 0.0 109.889 179.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -62.91 -45.28 93.23 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.45 -0.781 . . . . 0.0 109.98 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -60.66 -40.39 91.85 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.458 -0.776 . . . . 0.0 110.033 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -77.73 -40.33 41.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.413 -0.804 . . . . 0.0 110.08 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.669 HD12 ' O ' ' A' ' 72' ' ' MET . 4.7 mt -85.95 55.3 3.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.35 -0.843 . . . . 0.0 110.093 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -109.94 -161.79 0.77 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 110.288 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t 53.84 26.34 6.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.323 -0.86 . . . . 0.0 110.431 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.13 -174.74 4.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.327 -0.858 . . . . 0.0 110.119 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -163.46 111.01 1.19 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.877 . . . . 0.0 110.29 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.17 -17.43 60.91 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.396 -0.815 . . . . 0.0 110.391 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.63 -51.82 67.23 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.271 -0.893 . . . . 0.0 110.327 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -53.03 -41.26 64.57 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.353 -0.842 . . . . 0.0 110.475 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.6 -42.21 98.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.121 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.07 -46.9 88.77 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.417 -0.802 . . . . 0.0 110.066 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.74 -28.78 69.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.206 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 91' ' ' VAL . 17.4 tp10 -67.33 -46.36 73.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.37 -0.831 . . . . 0.0 110.117 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.21 83.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.381 -0.825 . . . . 0.0 110.11 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.557 ' HB3' HD13 ' A' ' 137' ' ' ILE . 14.5 m-85 -60.81 -34.17 74.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.308 -0.87 . . . . 0.0 110.144 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -68.39 -40.1 81.49 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.304 -0.872 . . . . 0.0 110.087 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 87' ' ' GLU . 65.7 t -63.74 -34.35 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.326 -0.859 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CD1' HG22 ' A' ' 108' ' ' VAL . 9.4 m-85 -73.79 -34.52 64.67 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.332 -0.855 . . . . 0.0 110.217 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.43 97.3 9.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.866 . . . . 0.0 110.157 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.83 -27.31 23.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 110.359 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -60.91 -28.18 68.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.362 -0.836 . . . . 0.0 110.283 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.52 33.51 8.52 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.22 -64.04 1.37 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.366 -1.079 . . . . 0.0 110.145 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.4 -24.31 5.0 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.91 104.47 10.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -1.137 . . . . 0.0 110.329 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.3 pt -111.98 160.45 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.37 -0.831 . . . . 0.0 110.135 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -79.49 160.16 26.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.36 -0.838 . . . . 0.0 110.28 -179.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.96 -32.94 48.83 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.366 -0.834 . . . . 0.0 110.462 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.01 -56.73 17.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.83 . . . . 0.0 110.173 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.801 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.4 mt-10 -61.46 -30.9 70.89 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.402 -0.811 . . . . 0.0 109.961 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.61 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -70.0 -42.47 72.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.414 -0.804 . . . . 0.0 109.965 179.868 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -62.53 -42.34 99.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.354 -0.841 . . . . 0.0 109.946 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.11 -40.25 97.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.883 . . . . 0.0 110.035 179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.5 t -62.83 -45.31 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.402 -0.811 . . . . 0.0 109.957 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -30.76 70.53 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.33 -0.857 . . . . 0.0 110.065 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.3 m -80.0 -42.47 23.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.434 -0.791 . . . . 0.0 110.177 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.6 m -62.46 -42.37 99.43 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.438 -0.789 . . . . 0.0 110.15 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.538 HD11 HG12 ' A' ' 108' ' ' VAL . 64.9 mt -59.65 -21.84 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.844 . . . . 0.0 110.311 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.07 25.43 44.71 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.05 152.36 39.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -1.117 . . . . 0.0 110.09 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.55 25.74 3.81 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.316 -0.865 . . . . 0.0 110.043 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 3.3 mm? -68.01 112.93 5.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.374 -0.829 . . . . 0.0 110.252 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.3 p -69.66 164.95 22.26 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.365 -0.834 . . . . 0.0 110.162 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.4 -28.77 68.5 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.312 -0.867 . . . . 0.0 110.136 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.26 74.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.291 -0.881 . . . . 0.0 110.074 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.23 -52.03 51.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.36 -0.837 . . . . 0.0 110.034 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.607 HG12 HD12 ' A' ' 125' ' ' LEU . 97.6 t -61.95 -27.33 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.348 -0.845 . . . . 0.0 109.855 179.709 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.25 -48.71 49.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.467 -0.77 . . . . 0.0 110.096 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.0 -29.06 64.91 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 0.0 110.077 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 128' ' ' VAL . 3.3 ttp -80.01 -28.86 39.35 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.46 -0.775 . . . . 0.0 110.081 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.607 HD12 HG12 ' A' ' 121' ' ' VAL . 11.5 mt -74.11 -36.66 64.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.455 -0.778 . . . . 0.0 110.168 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -34.25 77.72 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.36 -0.838 . . . . 0.0 110.223 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.98 -29.81 39.62 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.385 -0.822 . . . . 0.0 110.361 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 124' ' ' MET . 64.9 t -89.88 -36.39 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.329 -0.857 . . . . 0.0 110.256 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.7 p -60.94 102.23 0.19 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.279 -0.888 . . . . 0.0 110.239 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -167.45 33.43 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.376 -0.828 . . . . 0.0 110.238 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -127.54 -86.47 0.54 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 m -142.22 -61.56 0.45 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.31 -1.112 . . . . 0.0 110.223 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -157.26 -45.06 0.02 OUTLIER Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -80.62 153.84 27.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.434 -1.039 . . . . 0.0 110.205 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.435 HG23 HG12 ' A' ' 128' ' ' VAL . 80.7 mt -119.77 146.82 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.371 -0.83 . . . . 0.0 110.086 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -82.34 136.24 35.04 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.399 -0.813 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.557 HD13 ' HB3' ' A' ' 89' ' ' PHE . 16.8 pt -73.85 -21.14 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.807 . . . . 0.0 110.366 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -54.64 43.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.287 -0.883 . . . . 0.0 110.193 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -62.26 -41.76 98.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.417 -0.802 . . . . 0.0 110.148 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.61 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -66.86 -46.03 76.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.018 179.886 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.72 73.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.36 -0.838 . . . . 0.0 110.168 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -77.72 -27.62 50.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.356 -0.84 . . . . 0.0 110.154 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.77 -30.88 63.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.395 -0.816 . . . . 0.0 110.208 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.491 HD21 ' CE ' ' A' ' 124' ' ' MET . 87.6 mt -78.58 -27.04 45.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.29 -0.881 . . . . 0.0 110.204 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.1 t -76.96 -73.42 0.29 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.421 -0.799 . . . . 0.0 110.171 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 12.9 mttt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.239 179.965 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.16 0.505 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t 52.51 76.41 0.19 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.341 -0.85 . . . . 0.0 110.443 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -168.39 96.82 0.41 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.433 -0.792 . . . . 0.0 110.139 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.564 HD23 HE21 ' A' ' 8' ' ' GLN . 32.8 mt -84.19 130.26 34.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.474 -0.766 . . . . 0.0 110.359 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 p -89.13 179.35 6.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -0.77 . . . . 0.0 109.94 179.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.44 -37.04 79.68 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 110.35 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -65.26 -47.49 76.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.332 -0.855 . . . . 0.0 110.04 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.564 HE21 HD23 ' A' ' 4' ' ' LEU . 4.5 mt-30 -67.33 -43.32 81.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.412 -0.805 . . . . 0.0 109.941 179.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.03 -31.48 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.392 -0.817 . . . . 0.0 109.939 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.62 -41.82 75.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 0.0 109.958 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -59.36 -52.28 66.33 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.332 -0.855 . . . . 0.0 109.766 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.509 ' HE2' HD22 ' A' ' 4' ' ' LEU . 22.9 m-85 -60.13 -30.13 69.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.423 -0.798 . . . . 0.0 109.415 179.374 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -60.84 -46.33 90.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.566 -0.709 . . . . 0.0 109.926 179.579 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.07 -44.25 96.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.454 -0.779 . . . . 0.0 110.153 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -70.86 -35.73 72.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.359 -0.838 . . . . 0.0 110.197 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.543 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.5 t80 -71.03 -48.47 52.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.393 -0.817 . . . . 0.0 110.098 179.871 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.7 67.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.386 -0.821 . . . . 0.0 110.178 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 15' ' ' ALA . 7.5 mt -64.17 -37.01 85.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.34 -0.85 . . . . 0.0 110.225 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -105.14 26.48 9.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.357 -0.84 . . . . 0.0 110.243 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -99.55 113.78 26.39 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -111.23 -22.33 11.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.424 -0.798 . . . . 0.0 110.345 -179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -76.69 -3.71 39.39 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.322 -0.861 . . . . 0.0 110.681 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.6 t30 54.77 30.76 14.18 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.112 -0.992 . . . . 0.0 110.325 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -133.24 21.22 4.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.353 -0.842 . . . . 0.0 110.352 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.64 48.48 86.01 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -146.49 129.35 16.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -1.063 . . . . 0.0 110.316 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.543 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.8 pt -121.32 155.35 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.367 -0.833 . . . . 0.0 110.175 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.42 158.72 24.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -29.35 70.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.313 -0.867 . . . . 0.0 110.15 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 t -59.79 -28.88 67.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.437 -0.789 . . . . 0.0 110.183 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 35' ' ' VAL . 37.3 mt-10 -97.47 -12.62 22.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.367 -0.833 . . . . 0.0 110.375 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 HD13 ' A' ' 55' ' ' ILE . 45.5 tp -57.03 -52.74 64.07 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.237 -0.914 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.4 -36.28 71.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.354 -0.841 . . . . 0.0 110.208 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.3 m -69.86 -37.23 76.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.403 -0.811 . . . . 0.0 109.892 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.7 t -61.58 -36.79 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.391 -0.818 . . . . 0.0 109.942 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.7 mtt -71.38 -38.21 71.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.016 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -66.19 -34.81 78.88 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.405 -0.81 . . . . 0.0 110.211 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.01 -33.59 39.13 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.147 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.424 HD13 ' CE ' ' A' ' 72' ' ' MET . 5.7 mt -64.45 -22.69 67.04 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.319 -0.863 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.48 31.62 1.63 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 mt -122.57 -177.74 3.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -1.093 . . . . 0.0 110.185 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.4 t -168.76 70.05 0.75 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.842 . . . . 0.0 110.17 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.0 137.67 26.98 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.765 1.402 . . . . 0.0 110.378 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -62.17 171.7 1.71 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.38 -0.825 . . . . 0.0 110.159 179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.25 -28.3 67.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.292 -0.88 . . . . 0.0 110.116 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.42 73.21 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 110.09 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.45 -31.08 70.13 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.39 -0.819 . . . . 0.0 109.993 179.83 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 44' ' ' SER . 62.9 t -74.31 -44.47 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.829 . . . . 0.0 109.898 179.871 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.67 -35.21 79.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.361 -0.837 . . . . 0.0 109.945 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.01 -47.5 74.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.391 -0.818 . . . . 0.0 110.0 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.673 ' O ' HD12 ' A' ' 55' ' ' ILE . 91.0 mt -66.82 -37.49 84.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.838 . . . . 0.0 110.025 179.773 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.4 mtt -70.75 -31.87 68.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.875 . . . . 0.0 110.043 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -67.59 -38.69 84.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.378 -0.826 . . . . 0.0 110.079 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -76.55 -29.03 56.51 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.455 -0.778 . . . . 0.0 110.071 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 51' ' ' LEU . 9.3 mt -90.34 -62.32 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.361 -0.837 . . . . 0.0 109.992 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.12 112.25 1.46 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.332 -0.855 . . . . 0.0 110.399 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 55' ' ' ILE . 98.6 t -94.25 -37.21 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.449 -0.782 . . . . 0.0 110.153 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -133.81 -65.48 0.67 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.32 -0.862 . . . . 0.0 110.384 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.6 -66.77 0.07 OUTLIER Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -121.0 120.43 35.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.375 -1.073 . . . . 0.0 110.231 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -107.09 137.31 45.4 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.358 -0.839 . . . . 0.0 110.004 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -92.49 103.4 15.82 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.386 -0.821 . . . . 0.0 110.234 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.549 HD11 HG21 ' A' ' 55' ' ' ILE . 74.0 mt -79.92 132.59 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.298 -0.876 . . . . 0.0 110.108 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -90.89 160.16 15.84 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.344 -0.848 . . . . 0.0 110.071 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.777 ' CE2' HD11 ' A' ' 69' ' ' LEU . 27.5 t80 -58.35 -33.32 69.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.212 -0.93 . . . . 0.0 110.203 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 p -65.65 -55.22 18.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.411 -0.806 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -62.62 -36.12 81.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.348 -0.845 . . . . 0.0 110.09 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.42 ' CE2' ' HG3' ' A' ' 72' ' ' MET . 90.5 t80 -63.97 -45.26 89.88 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.386 -0.821 . . . . 0.0 110.027 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.777 HD11 ' CE2' ' A' ' 65' ' ' PHE . 38.3 mt -58.49 -43.02 88.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.349 -0.844 . . . . 0.0 110.137 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.47 -49.08 75.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.3 -0.875 . . . . 0.0 110.048 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.555 HD13 HD11 ' A' ' 55' ' ' ILE . 17.4 mt -61.48 -39.51 91.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.385 -0.822 . . . . 0.0 110.081 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.642 ' O ' HD12 ' A' ' 76' ' ' LEU . 86.4 mmm -62.66 -41.43 99.06 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.4 t -59.59 -43.97 93.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.317 -0.865 . . . . 0.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -68.96 -27.75 66.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.385 -0.822 . . . . 0.0 110.041 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.531 ' NE2' HD11 ' A' ' 51' ' ' LEU . 48.5 mm-40 -81.98 -27.5 33.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.374 -0.829 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 72' ' ' MET . 6.7 mt -81.89 57.29 3.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.264 -0.898 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -146.29 -178.12 5.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.335 -0.853 . . . . 0.0 110.209 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 90.9 p -91.93 -32.29 15.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.408 -0.807 . . . . 0.0 110.202 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -139.25 168.58 19.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.411 -0.806 . . . . 0.0 110.142 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.04 135.77 36.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.352 -0.842 . . . . 0.0 110.176 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.452 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -63.53 -18.45 63.85 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.341 -0.849 . . . . 0.0 110.465 -179.881 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -57.76 -58.29 9.01 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.303 -0.873 . . . . 0.0 110.318 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 86' ' ' LEU . 12.9 mp0 -60.85 -37.17 81.19 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.327 -0.858 . . . . 0.0 110.099 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.78 -33.4 75.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.375 -0.828 . . . . 0.0 110.056 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 81' ' ' SER . 1.2 mt -67.64 -43.26 80.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.381 -0.824 . . . . 0.0 110.126 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 83' ' ' GLN . 8.9 mt -62.9 -38.03 89.32 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.356 -0.84 . . . . 0.0 110.087 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.643 ' O ' HG23 ' A' ' 91' ' ' VAL . 8.7 mm-40 -65.22 -45.74 83.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.42 -0.8 . . . . 0.0 110.157 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.42 -46.23 84.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.394 -0.817 . . . . 0.0 110.113 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.684 ' HB3' HD13 ' A' ' 137' ' ' ILE . 5.4 m-85 -60.95 -31.83 71.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.376 -0.827 . . . . 0.0 110.057 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -71.48 -39.13 71.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 110.066 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 87' ' ' GLU . 60.5 t -61.92 -40.25 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.792 . . . . 0.0 109.957 179.901 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -70.14 -27.23 64.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.373 -0.83 . . . . 0.0 110.241 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -72.5 -156.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.33 -0.856 . . . . 0.0 110.23 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -110.84 -73.51 0.68 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 110.227 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -113.15 -50.65 2.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.86 . . . . 0.0 110.215 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.88 42.41 0.02 OUTLIER Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 32.1 p-10 -94.42 -23.99 17.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.364 -1.08 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.61 51.47 6.5 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 99' ' ' LEU . 16.5 mt -146.52 93.73 2.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.384 -1.068 . . . . 0.0 110.195 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.666 HD11 HD12 ' A' ' 105' ' ' LEU . 36.0 pt -114.32 160.44 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.383 -0.823 . . . . 0.0 110.229 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.0 m -79.7 160.24 26.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.391 -0.818 . . . . 0.0 110.239 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.36 63.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.325 -0.86 . . . . 0.0 110.487 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.68 -58.5 7.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.315 -0.866 . . . . 0.0 110.089 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.5 mm-40 -59.47 -28.95 67.47 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.398 -0.814 . . . . 0.0 110.05 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.666 HD12 HD11 ' A' ' 100' ' ' ILE . 2.3 tp -68.7 -43.21 76.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.435 -0.791 . . . . 0.0 110.138 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -65.47 -39.68 92.28 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.367 -0.833 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -64.35 -38.97 92.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 110.241 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 104' ' ' GLU . 92.3 t -62.55 -44.14 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.381 -0.825 . . . . 0.0 110.101 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.488 HD22 HG22 ' A' ' 121' ' ' VAL . 1.1 mp -61.56 -36.24 80.07 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.422 -0.798 . . . . 0.0 110.169 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.4 m -79.97 -37.46 34.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.351 -0.843 . . . . 0.0 110.186 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -63.18 -42.61 99.4 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.383 -0.823 . . . . 0.0 110.176 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 70.2 mt -61.91 -29.44 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.444 -0.785 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.16 28.3 20.8 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.22 147.0 40.71 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.428 -1.043 . . . . 0.0 110.091 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -82.07 58.47 3.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.357 -0.839 . . . . 0.0 110.237 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 116' ' ' LEU . 65.5 mt -123.31 104.76 9.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.343 -0.848 . . . . 0.0 110.191 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.8 p -67.47 -176.56 0.61 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.323 -0.861 . . . . 0.0 110.224 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -67.65 -27.57 66.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.382 -0.824 . . . . 0.0 110.212 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.12 83.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.323 -0.861 . . . . 0.0 110.131 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.67 -47.75 82.31 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 110.142 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.609 HG12 HD12 ' A' ' 125' ' ' LEU . 59.4 t -61.02 -32.36 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.303 -0.873 . . . . 0.0 109.983 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.18 -47.38 80.06 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.379 -0.826 . . . . 0.0 110.015 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -31.65 72.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.067 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.504 ' SD ' HD13 ' A' ' 143' ' ' LEU . 14.9 ttp -80.09 -29.55 39.09 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.425 -0.797 . . . . 0.0 110.123 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.609 HD12 HG12 ' A' ' 121' ' ' VAL . 1.1 mt -67.42 -40.15 85.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.344 -0.848 . . . . 0.0 110.136 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -68.08 -30.78 70.05 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.383 -0.823 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -26.48 39.44 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.329 -0.857 . . . . 0.0 110.389 -179.843 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.681 HG12 HG23 ' A' ' 135' ' ' ILE . 65.5 t -96.9 -37.56 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 110.209 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.8 p -60.91 119.04 7.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.324 -0.86 . . . . 0.0 110.27 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -167.28 33.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.36 -0.837 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.49 -77.05 0.14 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -158.35 -63.62 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -1.096 . . . . 0.0 110.134 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -156.07 29.98 0.59 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -143.59 156.07 44.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -1.068 . . . . 0.0 110.225 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.681 HG23 HG12 ' A' ' 128' ' ' VAL . 82.5 mt -133.64 148.89 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 110.164 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -92.6 140.46 29.52 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.398 -0.813 . . . . 0.0 110.208 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.684 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.0 pt -72.21 -16.32 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.375 -0.828 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -56.68 19.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.225 -0.922 . . . . 0.0 110.382 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -63.46 -44.89 93.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.346 -0.846 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.632 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.11 -46.9 82.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.363 -0.836 . . . . 0.0 110.23 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.24 -28.53 69.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.281 -0.887 . . . . 0.0 110.274 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.25 -32.29 58.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.385 -0.822 . . . . 0.0 110.249 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.504 HD13 ' SD ' ' A' ' 124' ' ' MET . 1.3 mt -74.71 -38.3 62.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 0.0 110.243 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 89.5 mt -69.45 -27.25 65.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.315 -0.865 . . . . 0.0 110.21 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 t -87.88 -33.64 18.46 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.327 -0.858 . . . . 0.0 110.155 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.272 -179.99 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.8 p . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.231 0.538 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' ASN . 2.5 t -64.44 134.68 55.01 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.319 -0.863 . . . . 0.0 110.179 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 2' ' ' SER . 34.0 m120 57.48 113.9 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.574 -0.704 . . . . 0.0 110.549 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.585 HD22 ' HE2' ' A' ' 12' ' ' PHE . 45.6 mt -53.59 120.9 6.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.251 -0.906 . . . . 0.0 110.601 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.8 p -87.71 -173.63 4.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.36 -0.837 . . . . 0.0 109.945 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 8.6 mt-10 -63.42 -33.55 75.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.235 -0.916 . . . . 0.0 110.142 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -66.9 -47.67 71.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.334 -0.854 . . . . 0.0 109.967 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -67.86 -43.96 78.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.808 . . . . 0.0 109.89 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -67.75 -30.19 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.348 -0.845 . . . . 0.0 109.803 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . -68.79 -34.96 76.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.358 -0.838 . . . . 0.0 109.788 179.583 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -67.74 -49.46 62.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.47 -0.769 . . . . 0.0 109.895 179.675 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' HE2' HD22 ' A' ' 4' ' ' LEU . 25.6 m-85 -60.5 -39.68 88.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.303 -0.873 . . . . 0.0 109.898 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 15.3 ttmt -58.91 -41.44 87.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.404 -0.81 . . . . 0.0 110.245 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.16 -57.05 14.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.459 -0.776 . . . . 0.0 110.099 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.24 -23.62 67.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.776 ' CE1' HG23 ' A' ' 27' ' ' ILE . 8.9 t80 -80.17 -38.86 30.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.147 -0.97 . . . . 0.0 110.088 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -24.8 63.47 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.384 -0.822 . . . . 0.0 110.286 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -72.31 -26.22 61.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -117.16 24.04 11.44 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.295 -0.878 . . . . 0.0 110.392 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.52 ' HA ' HG22 ' A' ' 27' ' ' ILE . 52.8 p-10 -87.9 -173.25 4.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.225 -0.922 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -109.14 6.83 25.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.825 . . . . 0.0 110.489 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 52.8 43.46 31.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.082 -1.011 . . . . 0.0 110.416 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -146.43 -66.1 0.29 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.376 -0.827 . . . . 0.0 110.198 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.84 -36.3 9.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.323 -0.86 . . . . 0.0 110.204 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.46 29.49 3.4 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.3 p -126.4 156.13 41.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.391 -1.064 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.776 HG23 ' CE1' ' A' ' 16' ' ' PHE . 42.4 pt -118.88 160.12 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.34 -0.85 . . . . 0.0 110.273 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.58 158.04 23.24 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.332 -0.855 . . . . 0.0 110.075 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -28.91 70.01 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.4 -0.813 . . . . 0.0 110.218 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -62.31 -36.39 82.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.348 -0.845 . . . . 0.0 110.236 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.781 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.9 mt-10 -85.21 -10.98 55.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.361 -0.837 . . . . 0.0 110.459 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.2 tp -57.85 -49.53 76.36 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.19 -0.944 . . . . 0.0 110.477 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.13 88.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.268 -0.895 . . . . 0.0 110.331 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.3 m -68.0 -41.25 82.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.306 -0.871 . . . . 0.0 110.124 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 31' ' ' GLU . 98.2 t -61.83 -32.63 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.419 -0.8 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.8 mtt -74.17 -33.81 63.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.86 . . . . 0.0 109.967 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -66.78 -34.52 78.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.429 -0.794 . . . . 0.0 110.174 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -29.28 38.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.376 -0.828 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 39' ' ' LEU . 13.3 mt -73.37 -23.88 60.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.323 -0.861 . . . . 0.0 110.244 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.15 35.07 0.9 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.1 mt -124.28 164.56 19.32 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.304 -1.115 . . . . 0.0 110.062 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 t -160.13 66.98 2.69 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 0.0 110.2 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.75 137.3 24.55 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.673 1.354 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -62.07 175.12 0.74 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.394 -0.817 . . . . 0.0 110.084 179.863 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.82 -28.3 68.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 110.19 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.51 -42.0 71.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.309 -0.869 . . . . 0.0 110.053 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.13 -40.94 95.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.408 -0.808 . . . . 0.0 110.112 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 44' ' ' SER . 56.6 t -63.1 -40.71 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.432 -0.793 . . . . 0.0 109.942 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -41.73 97.59 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.367 -0.833 . . . . 0.0 110.068 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.34 -48.13 82.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 110.093 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.402 HD23 HD22 ' A' ' 71' ' ' LEU . 8.2 mt -62.4 -44.27 96.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.437 -0.789 . . . . 0.0 110.112 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 mtt -66.84 -28.81 68.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.342 -0.849 . . . . 0.0 109.921 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -67.15 -38.87 86.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.411 -0.806 . . . . 0.0 110.006 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -74.15 -30.91 62.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.347 -0.846 . . . . 0.0 109.996 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 57' ' ' VAL . 20.6 mt -85.53 -60.74 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.428 -0.795 . . . . 0.0 109.92 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -64.24 103.82 0.67 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.391 -0.818 . . . . 0.0 110.188 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 55' ' ' ILE . 92.5 t -112.51 -63.71 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.418 -0.801 . . . . 0.0 110.156 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -95.07 39.3 1.11 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.402 -0.811 . . . . 0.0 110.298 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.17 -66.68 0.64 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -115.89 158.06 23.54 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.314 -1.109 . . . . 0.0 110.289 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -163.69 121.88 1.9 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.432 -0.792 . . . . 0.0 110.027 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -87.27 121.59 29.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.37 -0.831 . . . . 0.0 110.172 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.43 HD11 HD13 ' A' ' 55' ' ' ILE . 81.0 mt -80.09 121.2 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.337 -0.852 . . . . 0.0 110.16 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.06 160.27 18.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.37 -0.831 . . . . 0.0 109.999 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.622 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.9 t80 -56.58 -27.26 57.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.303 -0.873 . . . . 0.0 110.383 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.8 t -69.6 -54.97 11.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.345 -0.847 . . . . 0.0 110.009 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.98 -29.41 70.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.823 . . . . 0.0 110.055 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.46 -48.64 66.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.317 -0.865 . . . . 0.0 110.058 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.622 HD11 ' CE2' ' A' ' 65' ' ' PHE . 38.9 mt -58.77 -42.54 89.17 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.299 -0.875 . . . . 0.0 109.992 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.14 -47.08 75.24 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.467 -0.77 . . . . 0.0 109.855 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.402 HD22 HD23 ' A' ' 51' ' ' LEU . 24.6 mt -62.36 -35.21 78.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.398 -0.814 . . . . 0.0 109.909 179.703 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.62 ' O ' HD12 ' A' ' 76' ' ' LEU . 86.1 mmm -68.81 -37.4 79.21 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.396 -0.815 . . . . 0.0 109.873 179.675 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.6 p -61.59 -42.63 99.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.452 -0.78 . . . . 0.0 109.99 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -66.2 -39.18 89.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.445 -0.784 . . . . 0.0 109.742 179.783 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.409 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 53.5 mm-40 -68.2 -42.76 79.43 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.517 -0.74 . . . . 0.0 109.754 179.623 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 72' ' ' MET . 7.6 mt -74.85 -42.79 57.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 109.697 179.711 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 tptt 51.69 90.56 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.549 -0.719 . . . . 0.0 110.683 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.1 m -116.21 -37.68 3.75 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.534 -0.729 . . . . 0.0 109.947 179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -124.8 -160.99 0.98 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.485 -0.759 . . . . 0.0 110.019 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -156.3 148.13 22.95 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.307 -0.871 . . . . 0.0 110.233 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.35 -26.7 42.04 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.384 -0.822 . . . . 0.0 110.228 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.65 -56.57 20.17 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.362 -0.836 . . . . 0.0 110.27 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -58.63 -36.71 74.49 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.37 -0.831 . . . . 0.0 110.217 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.87 -29.84 70.98 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.292 -0.88 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.83 -48.12 33.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.381 -0.825 . . . . 0.0 110.028 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.2 -27.02 69.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.371 -0.831 . . . . 0.0 110.076 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 91' ' ' VAL . 2.9 tp10 -75.31 -48.49 22.92 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.427 -0.796 . . . . 0.0 110.235 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.16 78.76 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.346 -0.846 . . . . 0.0 110.193 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HB3' HD13 ' A' ' 137' ' ' ILE . 20.3 m-85 -62.28 -35.13 78.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.269 -0.895 . . . . 0.0 110.16 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -63.01 -33.97 76.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.343 -0.848 . . . . 0.0 110.268 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 87' ' ' GLU . 61.4 t -80.38 -27.66 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.353 -0.842 . . . . 0.0 110.405 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.454 ' CE2' HG22 ' A' ' 108' ' ' VAL . 6.8 m-85 -80.03 -10.39 59.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.267 -0.896 . . . . 0.0 111.086 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -60.02 -164.91 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.067 -1.02 . . . . 0.0 110.27 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -129.41 -59.49 1.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.316 -0.865 . . . . 0.0 110.241 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.91 -74.24 0.61 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.358 -0.839 . . . . 0.0 110.203 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.07 -49.41 0.02 OUTLIER Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.96 129.97 43.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -1.079 . . . . 0.0 110.211 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.27 88.9 0.06 OUTLIER Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.1 mt -136.74 103.43 5.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.41 -1.053 . . . . 0.0 110.201 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.633 HD11 HD12 ' A' ' 105' ' ' LEU . 36.8 pt -119.76 158.75 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.381 -0.824 . . . . 0.0 110.24 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.8 t -80.02 160.19 25.94 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.413 -0.805 . . . . 0.0 110.156 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.32 -30.26 50.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.365 -0.834 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.84 -54.08 26.03 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.835 . . . . 0.0 110.047 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.701 ' O ' HG23 ' A' ' 108' ' ' VAL . 26.2 mt-10 -62.02 -32.37 72.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.347 -0.846 . . . . 0.0 109.925 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.633 HD12 HD11 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -69.31 -42.82 74.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.382 -0.824 . . . . 0.0 109.988 179.86 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -62.44 -41.18 98.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.393 -0.817 . . . . 0.0 110.097 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -66.22 -32.99 74.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.406 -0.809 . . . . 0.0 110.097 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.6 t -79.97 -40.85 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.466 -0.771 . . . . 0.0 110.077 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -65.83 -31.29 72.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.258 -179.824 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.3 m -80.17 -37.79 32.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 110.352 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.8 t -61.07 -35.34 76.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.322 -0.861 . . . . 0.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 109' ' ' LEU . 62.6 mt -65.64 -28.25 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.304 -0.873 . . . . 0.0 110.039 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.55 37.07 58.41 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.66 176.08 0.71 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.436 -1.038 . . . . 0.0 110.167 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.25 52.28 2.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.367 -0.833 . . . . 0.0 110.096 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 116' ' ' LEU . 72.3 mt -135.54 131.5 36.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.227 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.8 p -84.96 -167.86 1.99 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.358 -0.839 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -74.36 -34.9 63.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -0.796 . . . . 0.0 110.257 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.35 86.94 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.349 -0.844 . . . . 0.0 110.205 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.56 -50.68 62.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -60.12 -27.23 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.347 -0.846 . . . . 0.0 110.165 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.92 -48.4 63.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.2 -27.0 68.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.458 -0.776 . . . . 0.0 110.17 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.59 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.1 ttp -78.65 -28.1 45.38 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.83 . . . . 0.0 110.268 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.73 -38.2 62.35 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.331 -0.856 . . . . 0.0 110.172 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -65.39 -34.3 77.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.385 -0.822 . . . . 0.0 110.252 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.1 -39.41 29.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.353 -0.842 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 124' ' ' MET . 60.4 t -80.58 -51.38 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.379 -0.825 . . . . 0.0 110.148 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.3 t -70.25 115.23 9.2 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.308 -0.87 . . . . 0.0 110.188 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -108.64 28.5 8.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.405 -0.809 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.19 56.97 3.3 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 t -126.42 -44.68 1.69 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.337 -1.096 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 127.88 -63.98 0.6 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.56 155.75 16.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.292 -1.122 . . . . 0.0 110.177 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 87.7 mt -126.06 146.05 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 0.0 110.162 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -80.12 126.72 31.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.433 -0.792 . . . . 0.0 110.162 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.57 HD13 ' HB3' ' A' ' 89' ' ' PHE . 3.5 pt -68.5 -18.01 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.43 -0.794 . . . . 0.0 110.499 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -69.21 -43.42 74.14 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.241 -0.912 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -68.7 -43.55 75.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.41 -0.806 . . . . 0.0 110.243 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.597 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.31 -42.56 96.29 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.279 -0.888 . . . . 0.0 110.134 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.56 80.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 110.223 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.45 69.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.44 -0.788 . . . . 0.0 110.156 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.59 HD13 ' CG ' ' A' ' 124' ' ' MET . 8.9 mt -70.23 -30.59 67.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.383 -0.823 . . . . 0.0 110.113 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.92 -18.32 50.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.366 -0.834 . . . . 0.0 110.446 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.3 m -59.42 -31.21 69.06 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.244 -0.91 . . . . 0.0 110.317 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.207 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.237 0.541 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 t -163.59 167.57 21.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.317 -0.864 . . . . 0.0 110.2 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -156.54 155.5 32.04 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.359 -0.838 . . . . 0.0 110.22 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.658 ' O ' HD11 ' A' ' 9' ' ' ILE . 15.8 mt -60.71 128.96 39.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.339 -0.851 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 p -71.13 166.81 20.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.081 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.19 -34.33 72.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.392 -0.817 . . . . 0.0 110.285 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.32 -50.02 67.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.404 -0.81 . . . . 0.0 110.102 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 6.5 mt-30 -64.25 -41.46 96.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -0.809 . . . . 0.0 110.131 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.658 HD11 ' O ' ' A' ' 4' ' ' LEU . 66.0 mt -65.46 -32.39 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.274 -0.891 . . . . 0.0 109.953 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.1 -35.63 76.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.347 -0.846 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.18 -49.72 63.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.277 -0.889 . . . . 0.0 110.136 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 76' ' ' LEU . 23.3 m-85 -61.72 -34.39 75.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.096 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -63.64 -41.94 98.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.311 -0.868 . . . . 0.0 110.066 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.97 -48.31 80.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.408 -0.808 . . . . 0.0 110.142 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -66.48 -35.71 80.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.361 -0.837 . . . . 0.0 110.197 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.77 ' CE1' HG23 ' A' ' 27' ' ' ILE . 4.7 t80 -67.44 -50.22 60.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.385 -0.822 . . . . 0.0 110.223 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.97 68.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.377 -0.827 . . . . 0.0 110.241 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 15' ' ' ALA . 3.5 mt -62.0 -36.24 80.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.399 -0.813 . . . . 0.0 110.168 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -106.81 27.09 9.26 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.376 -0.828 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -132.0 82.54 2.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.407 -0.808 . . . . 0.0 110.133 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' N ' ' CD ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -96.55 32.25 2.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.377 -0.827 . . . . 0.0 110.231 -179.88 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.34 7.96 31.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.342 -0.849 . . . . 0.0 110.596 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 51.98 33.26 11.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.191 -0.943 . . . . 0.0 110.553 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -125.86 -58.93 1.37 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.391 -0.818 . . . . 0.0 110.221 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.62 41.95 0.36 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.1 p -146.7 136.99 23.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -1.115 . . . . 0.0 110.164 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.77 HG23 ' CE1' ' A' ' 16' ' ' PHE . 43.5 pt -120.88 159.63 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.81 160.03 21.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -63.4 -28.74 70.19 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.341 -0.849 . . . . 0.0 110.229 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -61.72 -28.66 69.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.301 -0.875 . . . . 0.0 110.243 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 12.1 mt-10 -95.89 -12.14 25.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.385 -0.822 . . . . 0.0 110.531 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 58.9 tp -56.09 -55.49 32.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.245 -0.909 . . . . 0.0 110.347 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.16 70.68 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.289 -0.882 . . . . 0.0 110.189 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.5 m -70.59 -38.78 74.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.424 -0.797 . . . . 0.0 110.061 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 31' ' ' GLU . 82.3 t -62.09 -36.16 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.41 -0.806 . . . . 0.0 109.885 179.864 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.3 mtt -72.44 -34.84 68.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.443 -0.786 . . . . 0.0 109.933 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -66.42 -33.55 75.97 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.429 -0.795 . . . . 0.0 110.15 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 m -79.15 -31.33 43.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.818 . . . . 0.0 110.19 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mt -68.33 -21.13 64.76 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.331 -0.855 . . . . 0.0 110.362 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.89 31.91 1.66 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.421 HD21 HD21 ' A' ' 76' ' ' LEU . 42.7 mt -122.32 176.77 5.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.37 -1.077 . . . . 0.0 110.19 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -168.77 69.9 0.74 Allowed Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.113 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.72 138.48 29.15 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.744 1.391 . . . . 0.0 110.365 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.39 167.87 0.89 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.288 -0.883 . . . . 0.0 110.139 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.23 -29.69 67.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.406 -0.809 . . . . 0.0 110.098 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.52 -41.73 72.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -0.831 . . . . 0.0 110.01 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.02 -40.68 96.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.443 -0.786 . . . . 0.0 109.962 179.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.2 -49.19 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.398 -0.814 . . . . 0.0 109.936 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.24 -46.1 65.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.327 -0.858 . . . . 0.0 110.428 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -56.7 -47.07 80.72 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.237 -0.915 . . . . 0.0 109.941 179.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD22 HD22 ' A' ' 71' ' ' LEU . 28.6 mt -65.52 -51.81 57.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.464 -0.772 . . . . 0.0 109.845 179.658 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.493 ' HE3' ' HB3' ' A' ' 32' ' ' LEU . 1.3 mpt? -63.33 -25.96 68.55 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.359 -0.838 . . . . 0.0 110.159 179.849 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -68.98 -39.25 79.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.352 -0.842 . . . . 0.0 109.839 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -75.25 -31.85 60.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.475 -0.766 . . . . 0.0 109.728 179.64 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 57' ' ' VAL . 15.9 mt -84.23 -62.63 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.493 -0.754 . . . . 0.0 109.857 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.27 120.26 9.48 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.431 -0.793 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 55' ' ' ILE . 66.3 t -120.23 -62.59 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.369 -0.832 . . . . 0.0 110.186 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -98.6 36.32 1.66 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.358 -0.839 . . . . 0.0 110.134 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.21 -56.96 1.06 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -115.09 158.48 22.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.382 -1.069 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -168.23 122.96 0.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.347 -0.845 . . . . 0.0 110.131 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -87.04 116.05 24.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 0.0 110.068 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.91 136.26 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.379 -0.826 . . . . 0.0 110.295 -179.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -97.94 160.22 14.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.441 -0.787 . . . . 0.0 109.917 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.825 ' CE2' HD11 ' A' ' 69' ' ' LEU . 16.9 t80 -57.14 -27.12 61.57 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.85 . . . . 0.0 110.412 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.8 m -68.8 -61.22 1.9 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.265 -0.897 . . . . 0.0 110.113 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.65 -28.79 70.16 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -0.796 . . . . 0.0 110.07 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -67.44 -47.3 70.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 110.076 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.825 HD11 ' CE2' ' A' ' 65' ' ' PHE . 34.6 mt -60.95 -38.34 85.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.342 -0.848 . . . . 0.0 110.081 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.72 96.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.345 -0.847 . . . . 0.0 110.18 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.469 HD22 HD22 ' A' ' 51' ' ' LEU . 19.1 mt -63.76 -46.72 84.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 0.0 110.084 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.4 mtp -64.45 -38.82 92.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.386 -0.821 . . . . 0.0 110.023 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.491 ' HB2' HD11 ' A' ' 4' ' ' LEU . 46.7 t -60.13 -34.43 73.51 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.351 -0.843 . . . . 0.0 110.201 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -34.29 59.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.308 -0.87 . . . . 0.0 109.949 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -84.11 -30.6 25.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.398 -0.813 . . . . 0.0 110.516 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 4.3 mt -97.95 30.34 3.08 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.229 -0.919 . . . . 0.0 110.355 -179.841 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 135.25 48.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.37 -0.832 . . . . 0.0 110.173 179.832 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -58.52 100.98 0.07 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.289 -0.882 . . . . 0.0 110.116 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 t30 61.48 154.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.418 -0.801 . . . . 0.0 110.113 -179.812 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -159.7 26.95 0.19 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.329 -0.857 . . . . 0.0 110.302 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 t -59.91 -36.59 77.33 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.08 -55.68 8.85 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.459 -0.776 . . . . 0.0 110.209 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -55.46 -41.35 72.78 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.35 -0.844 . . . . 0.0 110.364 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.54 -34.3 77.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.015 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.606 HD22 ' HE2' ' A' ' 89' ' ' PHE . 10.1 mt -67.41 -48.93 65.87 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.389 -0.819 . . . . 0.0 109.919 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.09 -40.04 94.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.436 -0.79 . . . . 0.0 109.872 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -43.86 53.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.463 -0.773 . . . . 0.0 110.005 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.543 ' HB1' HG13 ' A' ' 108' ' ' VAL . . . -61.29 -46.4 90.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.472 -0.767 . . . . 0.0 110.295 179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.606 ' HE2' HD22 ' A' ' 85' ' ' LEU . 9.8 m-85 -63.02 -38.8 92.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.381 -0.825 . . . . 0.0 110.183 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -38.8 83.8 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.295 -0.878 . . . . 0.0 110.307 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.7 t -72.13 -37.93 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.293 -0.879 . . . . 0.0 110.02 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD2' ' CG2' ' A' ' 108' ' ' VAL . 10.2 m-85 -73.99 -30.78 62.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.165 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 95' ' ' ASN . 6.6 t70 -68.15 -23.27 64.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.342 -0.849 . . . . 0.0 110.231 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.54 -72.62 0.06 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.54 -0.725 . . . . 0.0 110.436 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.3 OUTLIER -57.74 -53.91 52.8 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.234 -0.916 . . . . 0.0 110.308 -179.912 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.57 33.71 2.41 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.2 -39.66 9.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.401 -1.058 . . . . 0.0 110.187 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.17 33.12 2.41 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 99' ' ' LEU . 82.3 mt -140.48 122.13 15.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.354 -1.086 . . . . 0.0 110.217 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 pt -143.29 160.7 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.443 -0.785 . . . . 0.0 110.172 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 m -79.2 160.12 27.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.377 -0.827 . . . . 0.0 110.288 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.23 -30.21 49.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.396 -0.815 . . . . 0.0 110.506 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.73 -57.46 11.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.267 -0.896 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.801 ' O ' HG23 ' A' ' 108' ' ' VAL . 44.8 mt-10 -61.39 -32.37 72.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.416 -0.803 . . . . 0.0 109.944 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -41.43 79.61 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.482 -0.761 . . . . 0.0 110.042 179.882 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -41.17 97.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.329 -0.857 . . . . 0.0 110.082 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -64.73 -33.87 76.99 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.404 -0.81 . . . . 0.0 110.072 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.4 t -70.61 -43.99 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.394 -0.816 . . . . 0.0 110.056 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.51 -30.65 71.43 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.407 -0.808 . . . . 0.0 110.19 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.3 m -78.84 -32.18 46.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.435 -0.791 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.38 -37.77 71.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.306 -0.871 . . . . 0.0 110.184 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.83 -26.68 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.415 -0.803 . . . . 0.0 110.03 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.48 28.97 50.86 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.78 157.79 23.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.386 -1.067 . . . . 0.0 110.177 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.69 58.75 5.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.232 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.664 HD11 HD22 ' A' ' 144' ' ' LEU . 66.4 mt -133.45 139.38 46.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.375 -0.828 . . . . 0.0 110.178 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.5 p -101.85 -178.24 3.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.355 -0.84 . . . . 0.0 110.223 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.31 -31.77 72.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.353 -0.842 . . . . 0.0 110.157 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.24 82.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.353 -0.842 . . . . 0.0 110.198 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.63 -47.69 82.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.315 -0.866 . . . . 0.0 110.087 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.57 -29.14 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.36 -0.838 . . . . 0.0 109.991 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.5 -47.77 71.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.376 -0.828 . . . . 0.0 109.995 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.27 -28.76 69.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.403 -0.81 . . . . 0.0 110.013 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.495 ' O ' HG23 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -79.47 -36.71 38.32 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.324 -0.86 . . . . 0.0 110.097 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 125' ' ' LEU . 8.4 mt -62.65 -39.5 94.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.368 -0.833 . . . . 0.0 110.227 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -61.8 -38.6 88.71 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.279 -0.888 . . . . 0.0 110.305 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -80.19 -36.68 34.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.334 -0.853 . . . . 0.0 110.522 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.726 HG12 HG23 ' A' ' 135' ' ' ILE . 59.7 t -80.88 -25.98 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.358 -0.839 . . . . 0.0 110.406 -179.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.1 t -59.72 100.38 0.08 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.284 -0.885 . . . . 0.0 110.271 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -113.57 -28.94 7.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.397 -0.814 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.84 -98.39 2.37 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.6 m -158.35 -59.7 0.08 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.447 -1.031 . . . . 0.0 110.177 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -126.04 29.91 4.49 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -145.4 138.09 26.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.427 -1.043 . . . . 0.0 110.172 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.726 HG23 HG12 ' A' ' 128' ' ' VAL . 87.4 mt -134.71 145.89 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.386 -0.821 . . . . 0.0 110.107 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -80.72 129.96 34.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -0.792 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.543 HG21 ' HB3' ' A' ' 89' ' ' PHE . 11.7 pt -66.66 -20.53 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.326 -0.859 . . . . 0.0 110.492 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -70.7 -36.22 73.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.223 -0.923 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.424 ' O ' HD12 ' A' ' 143' ' ' LEU . 10.8 mm-40 -68.33 -49.73 58.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.332 -0.855 . . . . 0.0 110.224 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.402 ' CE1' ' CE ' ' A' ' 124' ' ' MET . 0.4 OUTLIER -65.22 -36.2 83.42 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.352 -0.842 . . . . 0.0 110.117 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.46 71.42 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.357 -0.84 . . . . 0.0 110.242 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.0 -34.7 38.26 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.829 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 139' ' ' GLN . 2.5 mt -64.61 -42.39 95.57 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.381 -0.824 . . . . 0.0 110.278 -179.88 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.664 HD22 HD11 ' A' ' 116' ' ' LEU . 89.0 mt -70.2 -48.77 55.66 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.285 -0.884 . . . . 0.0 110.145 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t -72.98 130.4 40.27 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.44 -0.787 . . . . 0.0 110.126 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.214 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.254 0.549 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -111.52 147.71 34.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.314 -0.866 . . . . 0.0 110.202 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -62.16 -170.88 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.419 -0.801 . . . . 0.0 110.248 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.498 HD22 ' HE2' ' A' ' 12' ' ' PHE . 30.7 mt -62.15 119.44 8.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.29 -0.881 . . . . 0.0 110.191 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.9 p -77.45 -179.93 6.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.368 -0.833 . . . . 0.0 110.079 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.98 -29.1 70.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.415 -0.803 . . . . 0.0 110.12 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -70.01 -46.54 64.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.396 -0.815 . . . . 0.0 110.057 179.829 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -66.78 -42.41 86.09 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.379 -0.825 . . . . 0.0 110.01 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.7 mt -67.96 -34.65 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.319 -0.863 . . . . 0.0 109.841 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.04 -31.7 72.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.375 -0.828 . . . . 0.0 109.84 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.01 -48.91 56.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 109.989 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.498 ' HE2' HD22 ' A' ' 4' ' ' LEU . 24.4 m-85 -62.5 -36.84 83.8 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.373 -0.829 . . . . 0.0 110.016 179.901 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 3.9 ttmm -62.99 -40.28 97.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.444 -0.785 . . . . 0.0 110.195 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.39 -52.71 62.52 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.335 -0.853 . . . . 0.0 110.18 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.98 86.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.353 -0.842 . . . . 0.0 110.204 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE1' HG23 ' A' ' 27' ' ' ILE . 5.5 t80 -67.25 -46.45 73.66 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.299 -0.876 . . . . 0.0 110.098 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -27.84 69.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.374 -0.828 . . . . 0.0 110.145 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.76 -34.04 76.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.29 -0.881 . . . . 0.0 110.144 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -108.77 27.85 9.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.391 -0.818 . . . . 0.0 110.21 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -100.81 104.37 15.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.434 -0.791 . . . . 0.0 110.03 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -19.3 10.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.335 -0.853 . . . . 0.0 110.506 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.44 -82.57 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.144 -0.972 . . . . 0.0 110.324 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -173.95 -75.89 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.101 -0.999 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.71 -75.66 0.07 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.348 -0.845 . . . . 0.0 110.271 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -178.63 80.85 0.06 OUTLIER Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 p -148.0 139.92 24.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.38 -1.071 . . . . 0.0 110.158 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.601 HG23 ' CE1' ' A' ' 16' ' ' PHE . 46.5 pt -122.33 159.28 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.395 -0.815 . . . . 0.0 110.234 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -84.25 160.08 20.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 0.0 110.263 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -38.77 88.09 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.405 -0.81 . . . . 0.0 110.265 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -57.19 -28.84 63.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.342 -0.849 . . . . 0.0 110.337 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.1 mt-10 -91.47 -17.12 26.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.503 HD22 HD13 ' A' ' 55' ' ' ILE . 48.7 tp -56.45 -48.56 76.8 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.284 -0.885 . . . . 0.0 110.422 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.31 -38.63 84.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.896 . . . . 0.0 110.155 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.7 m -68.26 -37.17 80.45 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.019 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 31' ' ' GLU . 81.1 t -61.49 -37.96 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.407 -0.808 . . . . 0.0 109.977 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.8 mtt -69.9 -38.34 76.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.368 -0.832 . . . . 0.0 110.012 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -64.47 -35.19 80.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.373 -0.83 . . . . 0.0 110.181 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -78.95 -34.19 44.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.375 -0.828 . . . . 0.0 110.204 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.35 -22.16 66.86 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.393 -0.817 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.42 30.66 1.83 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.9 mt -121.68 179.53 4.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.287 -1.125 . . . . 0.0 110.176 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.73 68.81 0.87 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.359 -0.838 . . . . 0.0 110.214 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.6 137.84 25.77 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 O-C-N 123.655 1.345 . . . . 0.0 110.344 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 169.44 2.3 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.399 -0.813 . . . . 0.0 110.114 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.78 -27.91 65.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.334 -0.854 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.81 -41.75 71.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 110.122 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.26 -36.05 81.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.413 -0.804 . . . . 0.0 110.144 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.34 -41.41 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.324 -0.86 . . . . 0.0 110.013 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -40.45 93.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.345 -0.847 . . . . 0.0 110.057 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.07 -50.42 72.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.367 -0.833 . . . . 0.0 110.018 179.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 55' ' ' ILE . 7.8 mp -62.82 -42.78 99.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.322 -0.861 . . . . 0.0 109.931 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 mtt -68.21 -29.17 67.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.326 -0.859 . . . . 0.0 109.832 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -66.05 -38.93 89.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.439 -0.788 . . . . 0.0 109.891 179.723 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -72.57 -34.6 67.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.399 -0.813 . . . . 0.0 109.958 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 51' ' ' LEU . 10.0 mt -83.9 -61.39 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.443 -0.786 . . . . 0.0 109.995 179.803 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.99 84.87 0.33 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.312 -0.868 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.74 -69.2 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.435 -0.791 . . . . 0.0 110.167 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -90.13 -37.77 13.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.313 -0.867 . . . . 0.0 110.253 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.53 -35.34 0.23 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -117.08 122.84 45.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.373 -1.074 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -155.7 121.36 4.97 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.335 -0.853 . . . . 0.0 110.111 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -91.49 128.67 37.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.338 -0.851 . . . . 0.0 110.123 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CD1' HD22 ' A' ' 32' ' ' LEU . 73.0 mt -87.7 127.7 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 110.242 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.73 160.07 16.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.461 -0.774 . . . . 0.0 110.041 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.728 ' CE2' HD11 ' A' ' 69' ' ' LEU . 22.2 t80 -56.66 -36.5 69.63 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.257 -0.902 . . . . 0.0 110.361 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.0 m -62.97 -54.67 34.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.393 -0.817 . . . . 0.0 110.119 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.62 -28.53 69.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.416 -0.802 . . . . 0.0 110.237 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -69.87 -47.95 60.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.481 -0.762 . . . . 0.0 110.24 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.728 HD11 ' CE2' ' A' ' 65' ' ' PHE . 50.5 mt -60.45 -35.74 76.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.356 -0.84 . . . . 0.0 110.11 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.2 -48.11 62.98 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.426 -0.796 . . . . 0.0 110.196 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.04 -42.76 99.09 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.381 -0.824 . . . . 0.0 110.201 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.5 mmm -63.44 -38.51 91.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.392 -0.817 . . . . 0.0 110.167 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -61.14 -39.46 90.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.347 -0.846 . . . . 0.0 110.203 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -70.35 -32.75 70.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.328 -0.857 . . . . 0.0 110.131 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -84.7 -33.73 23.1 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.385 -0.822 . . . . 0.0 110.167 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.3 mt -76.4 -31.76 58.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.307 -0.87 . . . . 0.0 110.167 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -85.12 60.64 6.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.295 -0.878 . . . . 0.0 110.109 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.9 t -119.98 -76.86 0.58 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.308 -0.87 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 t30 51.7 91.65 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.235 -0.915 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.58 67.78 1.02 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.415 -0.803 . . . . 0.0 110.311 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.09 -40.13 28.22 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.411 -0.805 . . . . 0.0 110.153 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.16 -35.79 81.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.327 -0.858 . . . . 0.0 110.236 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -72.74 -20.77 61.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.33 -0.856 . . . . 0.0 110.324 179.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -49.6 12.69 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.204 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.75 -39.8 74.65 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.937 -178.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.69 -43.84 83.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.577 -0.702 . . . . 0.0 109.707 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.668 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.1 mt-10 -58.42 -41.25 84.57 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.441 -0.787 . . . . 0.0 110.149 179.759 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.0 64.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.29 -0.881 . . . . 0.0 109.993 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.665 ' HB3' HD13 ' A' ' 137' ' ' ILE . 4.7 m-85 -60.73 -27.35 67.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.139 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -38.05 59.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.396 -0.815 . . . . 0.0 110.013 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 87' ' ' GLU . 68.0 t -62.39 -46.06 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.302 -0.874 . . . . 0.0 110.062 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.449 ' CD1' HG22 ' A' ' 108' ' ' VAL . 13.4 m-85 -63.08 -34.1 76.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 95' ' ' ASN . 27.2 t0 -81.93 -10.03 59.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.354 -0.841 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.72 -76.01 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.33 -0.856 . . . . 0.0 110.452 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' ASP . 19.0 m120 -154.77 31.2 0.41 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.102 -0.999 . . . . 0.0 110.255 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -91.31 42.88 2.81 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.854 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.92 -75.09 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.462 -1.023 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' GLY . . . -173.22 52.88 0.16 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.422 ' C ' HG23 ' A' ' 100' ' ' ILE . 8.1 mt -137.07 136.24 38.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.435 -1.038 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.422 HG23 ' C ' ' A' ' 99' ' ' LEU . 42.9 pt -147.47 160.4 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.392 -0.818 . . . . 0.0 110.215 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.54 160.2 26.58 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.335 -0.853 . . . . 0.0 110.229 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.57 41.1 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.329 -0.857 . . . . 0.0 110.556 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.37 -55.0 36.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.306 -0.871 . . . . 0.0 110.118 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.773 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.5 mm-40 -63.58 -29.15 70.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.285 -0.884 . . . . 0.0 109.967 179.762 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.692 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.3 tp -70.37 -39.02 74.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.367 -0.833 . . . . 0.0 110.098 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -69.72 -36.72 76.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.326 -0.859 . . . . 0.0 110.218 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -68.51 -35.47 77.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.217 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 104' ' ' GLU . 90.1 t -69.66 -43.66 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.448 -0.782 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.48 -34.62 77.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.882 . . . . 0.0 110.054 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.7 m -79.99 -31.3 39.79 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.339 -0.851 . . . . 0.0 110.102 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.0 t -71.99 -42.55 66.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.344 -0.847 . . . . 0.0 110.158 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.431 HD11 HG12 ' A' ' 108' ' ' VAL . 73.3 mt -62.46 -27.77 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.333 -0.855 . . . . 0.0 109.994 179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.95 28.89 27.4 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.0 148.33 46.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.265 -1.138 . . . . 0.0 110.095 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.62 61.94 6.56 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.357 -0.839 . . . . 0.0 110.325 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.4 HD11 HD22 ' A' ' 144' ' ' LEU . 26.7 mt -115.08 120.47 39.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.313 -0.867 . . . . 0.0 110.107 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.6 p -79.28 -175.97 4.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.338 -0.851 . . . . 0.0 110.251 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -31.95 68.64 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.93 99.41 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.422 -0.799 . . . . 0.0 110.129 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.2 -51.54 67.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.424 -0.798 . . . . 0.0 110.18 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.411 HG12 HD12 ' A' ' 125' ' ' LEU . 57.5 t -62.32 -27.97 43.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.338 -0.851 . . . . 0.0 110.07 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.62 -45.53 61.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.35 -0.844 . . . . 0.0 110.115 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -71.33 -34.57 70.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.357 -0.839 . . . . 0.0 110.161 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.464 ' O ' HG23 ' A' ' 128' ' ' VAL . 17.5 mtp -74.85 -26.27 59.57 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.374 -0.829 . . . . 0.0 110.194 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.411 HD12 HG12 ' A' ' 121' ' ' VAL . 9.7 mt -76.28 -39.11 55.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.276 -0.89 . . . . 0.0 110.194 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -33.38 74.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.367 -0.833 . . . . 0.0 110.146 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -80.06 -27.27 39.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.855 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.722 HG12 HG23 ' A' ' 135' ' ' ILE . 51.7 t -98.74 -60.9 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.307 -0.871 . . . . 0.0 110.158 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -61.56 116.79 5.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.429 -0.794 . . . . 0.0 110.202 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -145.69 28.37 1.17 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.358 -0.839 . . . . 0.0 110.229 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -148.1 -107.78 0.48 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.0 t -171.85 -35.81 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.342 -1.093 . . . . 0.0 110.328 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -55.37 -96.08 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.15 160.16 41.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -1.135 . . . . 0.0 110.437 -179.791 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.722 HG23 HG12 ' A' ' 128' ' ' VAL . 67.4 mt -94.79 145.29 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.369 -0.832 . . . . 0.0 110.107 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -80.7 132.82 35.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.412 -0.805 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.665 HD13 ' HB3' ' A' ' 89' ' ' PHE . 4.5 pt -69.45 -17.93 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.425 -0.797 . . . . 0.0 110.507 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 -53.33 59.49 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.27 -0.894 . . . . 0.0 110.228 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -62.55 -48.86 77.64 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.422 -0.799 . . . . 0.0 110.172 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.692 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.44 -50.95 69.44 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.299 -0.876 . . . . 0.0 110.004 179.858 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.86 -28.74 69.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.388 -0.82 . . . . 0.0 110.157 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.65 62.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.403 -0.81 . . . . 0.0 110.062 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.4 mt -69.0 -33.58 73.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -0.831 . . . . 0.0 110.07 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.4 HD22 HD11 ' A' ' 116' ' ' LEU . 88.6 mt -74.07 -52.81 11.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.341 -0.849 . . . . 0.0 110.125 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.7 t -73.47 -64.31 1.02 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 110.148 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.251 179.996 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.209 0.528 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -131.23 -165.13 1.52 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.396 -0.815 . . . . 0.0 110.244 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 58.0 166.13 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.487 -0.758 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.542 HD22 ' HE2' ' A' ' 12' ' ' PHE . 25.8 mt -69.67 119.48 13.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.314 -0.866 . . . . 0.0 110.246 -179.891 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p -66.21 174.09 2.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.322 -0.861 . . . . 0.0 109.959 179.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -62.1 -36.46 81.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.318 -0.864 . . . . 0.0 110.192 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -69.2 -38.32 78.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.358 -0.839 . . . . 0.0 110.054 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 3.8 mm-40 -67.97 -43.76 78.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.335 -0.853 . . . . 0.0 110.012 179.817 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 4' ' ' LEU . 51.1 mt -66.24 -39.88 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.41 -0.806 . . . . 0.0 109.925 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.74 -36.24 80.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.305 -0.872 . . . . 0.0 109.901 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.09 -53.49 57.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.348 -0.845 . . . . 0.0 109.775 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.542 ' HE2' HD22 ' A' ' 4' ' ' LEU . 25.2 m-85 -60.27 -30.55 69.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.395 -0.816 . . . . 0.0 109.502 179.408 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -61.29 -43.36 99.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.582 -0.699 . . . . 0.0 109.974 179.618 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -66.17 -43.68 86.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.421 -0.799 . . . . 0.0 110.328 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.67 -28.15 60.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.292 -0.88 . . . . 0.0 110.419 -179.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -80.12 -36.24 35.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.194 -0.941 . . . . 0.0 110.228 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.77 -25.46 53.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.434 -0.792 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.21 -26.66 63.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.361 -0.837 . . . . 0.0 110.325 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -108.5 26.31 10.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.283 -0.885 . . . . 0.0 110.355 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -127.11 -99.78 0.37 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 0.0 110.176 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt 51.41 57.67 6.35 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.947 -1.096 . . . . 0.0 110.604 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -126.48 -39.57 2.01 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.301 -0.874 . . . . 0.0 110.396 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -168.98 -63.59 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.9 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -114.91 -75.2 0.59 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.334 -0.854 . . . . 0.0 110.264 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.1 68.95 0.07 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.0 p -138.55 130.2 27.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.326 -1.102 . . . . 0.0 110.143 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -111.95 158.57 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.401 -0.812 . . . . 0.0 110.249 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -89.15 160.24 17.1 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 110.325 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -37.25 76.79 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.473 -0.767 . . . . 0.0 110.429 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.82 -25.61 56.3 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.315 -0.866 . . . . 0.0 110.387 -179.778 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.764 ' O ' HG23 ' A' ' 35' ' ' VAL . 37.7 mt-10 -98.72 -16.17 19.08 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.424 -0.797 . . . . 0.0 110.381 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD22 ' CD1' ' A' ' 63' ' ' ILE . 58.4 tp -57.16 -52.67 64.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.221 -0.924 . . . . 0.0 110.396 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.34 81.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.343 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.2 m -66.54 -39.03 88.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 31' ' ' GLU . 97.6 t -61.51 -39.85 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.32 -0.863 . . . . 0.0 109.871 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.8 mtt -67.43 -33.66 75.62 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.315 -0.866 . . . . 0.0 109.667 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -69.09 -29.67 67.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.47 -0.769 . . . . 0.0 109.977 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -77.88 -35.35 50.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.392 -0.818 . . . . 0.0 110.208 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.26 -29.27 68.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.355 -0.841 . . . . 0.0 110.114 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.83 -5.65 4.05 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -80.98 172.56 13.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -1.185 . . . . 0.0 110.229 -179.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.8 t -167.3 61.53 0.58 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.438 -0.789 . . . . 0.0 110.054 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HB2' ' CB ' ' A' ' 47' ' ' GLU . 45.9 Cg_endo -73.63 137.49 25.14 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.723 1.38 . . . . 0.0 110.416 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 m -64.28 174.29 1.69 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.364 -0.835 . . . . 0.0 109.999 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.23 -30.75 66.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.279 -0.888 . . . . 0.0 110.164 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.69 81.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.478 -0.764 . . . . 0.0 109.942 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 43' ' ' PRO . 26.9 mt-10 -65.18 -41.91 94.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.397 -0.815 . . . . 0.0 109.686 179.698 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.55 -43.85 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.399 -0.813 . . . . 0.0 109.645 179.559 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -54.88 -45.57 74.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.874 . . . . 0.0 110.034 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.68 -48.51 77.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.333 -0.854 . . . . 0.0 109.662 179.484 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -63.02 -53.1 59.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.421 -0.799 . . . . 0.0 109.885 179.542 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -61.95 -26.99 68.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.353 -0.842 . . . . 0.0 110.15 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -67.64 -37.72 82.86 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.357 -0.839 . . . . 0.0 109.966 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -78.76 -30.01 45.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.356 -0.84 . . . . 0.0 109.983 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.1 mt -90.34 -64.17 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 0.0 110.012 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -54.65 100.47 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.343 -0.848 . . . . 0.0 110.392 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.24 -36.43 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.446 -0.784 . . . . 0.0 110.329 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -147.85 -63.4 0.26 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.229 -0.919 . . . . 0.0 110.513 -179.831 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.13 -59.37 0.18 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -119.68 162.97 18.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.303 -1.116 . . . . 0.0 110.4 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -166.58 122.68 1.22 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.485 -0.76 . . . . 0.0 110.042 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -83.99 119.61 25.13 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.314 -0.866 . . . . 0.0 110.231 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.511 ' CD1' HD22 ' A' ' 32' ' ' LEU . 80.0 mt -90.82 141.51 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.417 -0.802 . . . . 0.0 110.148 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -100.2 160.05 14.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.431 -0.793 . . . . 0.0 110.09 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.8 ' CE2' HD11 ' A' ' 69' ' ' LEU . 23.9 t80 -58.33 -34.86 71.09 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.349 -0.844 . . . . 0.0 110.438 -179.83 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -62.38 -57.45 11.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.378 -0.826 . . . . 0.0 110.173 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.63 -31.34 72.17 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.423 -0.798 . . . . 0.0 110.08 179.842 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -65.66 -48.69 71.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.422 -0.799 . . . . 0.0 110.138 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.8 HD11 ' CE2' ' A' ' 65' ' ' PHE . 45.1 mt -59.44 -38.96 82.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.327 -0.858 . . . . 0.0 110.169 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.1 -46.9 82.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.35 -0.844 . . . . 0.0 109.988 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.34 -42.62 98.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.374 -0.829 . . . . 0.0 109.985 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.722 ' O ' HD12 ' A' ' 76' ' ' LEU . 90.7 mmm -65.22 -38.61 90.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.456 -0.778 . . . . 0.0 110.073 179.818 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -63.02 -33.72 76.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.434 -0.792 . . . . 0.0 110.182 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -77.81 -31.42 51.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.319 -0.863 . . . . 0.0 110.06 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -86.25 -26.79 24.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.445 -0.784 . . . . 0.0 110.221 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 72' ' ' MET . 3.5 mt -94.29 41.14 1.09 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -0.876 . . . . 0.0 110.239 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.0 89.0 0.12 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.131 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.0 p -99.96 28.29 4.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -80.31 -29.11 38.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.438 -0.789 . . . . 0.0 110.185 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -113.18 -28.11 7.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.428 -0.795 . . . . 0.0 110.221 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.4 m -59.26 -50.47 73.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.292 -0.88 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.95 -55.6 27.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.41 -0.806 . . . . 0.0 110.159 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.39 -27.06 63.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.34 -0.85 . . . . 0.0 110.34 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -67.56 -43.29 81.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.362 -0.836 . . . . 0.0 110.036 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -47.05 78.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.351 -0.843 . . . . 0.0 110.062 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.65 -35.16 80.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 110.052 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -71.38 -43.81 66.17 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.429 -0.795 . . . . 0.0 110.107 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.05 98.59 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.272 -0.892 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.507 ' HB3' HG21 ' A' ' 137' ' ' ILE . 13.5 m-85 -66.96 -31.98 72.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.123 179.848 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -66.52 -39.78 88.8 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.413 -0.804 . . . . 0.0 110.155 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.86 -34.13 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.876 . . . . 0.0 110.08 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.535 ' CE2' HG22 ' A' ' 108' ' ' VAL . 7.5 m-85 -71.97 -30.31 65.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.339 -0.851 . . . . 0.0 110.182 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -93.91 164.3 13.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.458 -0.776 . . . . 0.0 110.236 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 96' ' ' GLY . 29.3 mmtt -97.16 169.51 9.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 110.227 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 55.74 -86.4 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.601 -0.687 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . 155.91 50.37 0.01 OUTLIER Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.0 -53.66 3.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.343 -1.092 . . . . 0.0 110.235 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.27 38.68 1.0 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.4 mt -126.95 124.87 40.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.317 -1.107 . . . . 0.0 110.189 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.2 pt -145.49 160.13 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.352 -0.842 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.3 m -79.81 160.22 26.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.446 -0.783 . . . . 0.0 110.183 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.72 -27.54 28.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.293 -0.879 . . . . 0.0 110.489 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.09 -55.03 21.12 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.339 -0.851 . . . . 0.0 110.092 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.757 ' O ' HG23 ' A' ' 108' ' ' VAL . 27.5 mt-10 -61.88 -33.12 73.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.36 -0.838 . . . . 0.0 110.082 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.823 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 1.4 tp -67.39 -39.58 85.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.443 -0.786 . . . . 0.0 110.053 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -67.11 -39.89 86.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.458 -0.776 . . . . 0.0 110.195 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -67.75 -29.05 68.17 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.326 -0.859 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 104' ' ' GLU . 77.2 t -78.92 -42.87 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.32 -0.862 . . . . 0.0 110.136 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.439 ' HA ' HD12 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -63.09 -31.12 72.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.369 -0.832 . . . . 0.0 110.098 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.0 m -74.6 -43.08 57.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.319 -0.863 . . . . 0.0 110.205 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.1 t -61.95 -38.68 89.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.379 -0.826 . . . . 0.0 110.12 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 109' ' ' LEU . 62.9 mt -64.59 -26.56 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.305 -0.872 . . . . 0.0 110.094 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.57 33.44 55.98 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.98 179.75 0.26 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.417 -1.049 . . . . 0.0 110.082 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -110.02 62.41 0.6 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.417 -0.802 . . . . 0.0 110.222 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.406 ' CD1' ' CD2' ' A' ' 144' ' ' LEU . 76.6 mt -132.44 111.45 11.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.354 -0.841 . . . . 0.0 110.219 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.7 p -62.41 178.99 0.35 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.358 -0.839 . . . . 0.0 110.208 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.27 -37.88 88.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.315 -0.866 . . . . 0.0 110.187 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.75 -29.13 69.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.34 -0.85 . . . . 0.0 110.141 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.7 -50.0 34.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.32 -0.862 . . . . 0.0 110.124 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.5 t -62.21 -30.07 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.406 -0.809 . . . . 0.0 109.941 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.09 -45.41 73.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.321 -0.862 . . . . 0.0 110.049 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.35 -33.18 73.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.38 -0.825 . . . . 0.0 110.06 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.441 ' CE ' ' CE1' ' A' ' 140' ' ' PHE . 7.8 ttp -73.36 -28.85 62.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.441 -0.787 . . . . 0.0 110.066 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.05 -32.62 59.4 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.831 . . . . 0.0 110.07 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -68.07 -32.92 73.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.402 -0.811 . . . . 0.0 110.172 179.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -28.01 39.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.355 -0.84 . . . . 0.0 110.227 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.526 HG12 HG23 ' A' ' 135' ' ' ILE . 57.3 t -93.95 -25.79 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.7 t -61.67 88.18 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 110.337 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.54 -30.18 7.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.387 -0.821 . . . . 0.0 110.166 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.71 -95.84 0.54 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.8 m -159.79 -42.89 0.05 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.409 -1.053 . . . . 0.0 110.271 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -144.11 -45.19 0.04 OUTLIER Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -79.95 141.16 36.27 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.313 -1.11 . . . . 0.0 110.171 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.526 HG23 HG12 ' A' ' 128' ' ' VAL . 79.0 mt -130.08 159.88 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.361 -0.837 . . . . 0.0 110.145 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -88.16 128.15 35.44 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.442 -0.786 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.507 HG21 ' HB3' ' A' ' 89' ' ' PHE . 17.3 pt -67.97 -21.37 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.381 -0.825 . . . . 0.0 110.491 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -59.56 -53.68 55.26 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.291 -0.881 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -42.73 99.61 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.463 -0.773 . . . . 0.0 110.155 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.823 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -69.47 -33.7 73.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.39 -0.819 . . . . 0.0 110.077 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.86 -28.41 67.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.278 -0.889 . . . . 0.0 110.101 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.79 -35.33 38.71 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.389 -0.819 . . . . 0.0 110.125 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.36 -33.97 73.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.248 -0.908 . . . . 0.0 110.197 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.406 ' CD2' ' CD1' ' A' ' 116' ' ' LEU . 90.4 mt -79.65 -49.81 11.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.345 -0.847 . . . . 0.0 110.19 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.7 m -68.57 151.6 46.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 110.225 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.238 0.542 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -146.12 -177.8 5.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.38 -0.825 . . . . 0.0 110.201 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 t30 62.01 131.88 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.554 -0.716 . . . . 0.0 110.478 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.597 HD22 ' HE2' ' A' ' 12' ' ' PHE . 33.3 mt -63.39 124.62 21.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.29 -0.881 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 p -76.81 175.6 9.28 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.39 -0.818 . . . . 0.0 109.981 179.777 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.03 -33.76 73.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.282 -0.886 . . . . 0.0 110.131 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.73 -49.26 69.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.334 -0.853 . . . . 0.0 110.0 179.887 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.9 mt-30 -64.4 -43.51 94.19 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.378 -0.826 . . . . 0.0 110.081 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.42 HD11 ' O ' ' A' ' 4' ' ' LEU . 77.1 mt -64.71 -30.95 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.835 . . . . 0.0 109.889 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.56 86.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.379 -0.825 . . . . 0.0 110.029 179.871 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.56 -48.12 80.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.369 -0.832 . . . . 0.0 110.1 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.597 ' HE2' HD22 ' A' ' 4' ' ' LEU . 25.9 m-85 -60.95 -36.86 80.47 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.269 -0.894 . . . . 0.0 110.029 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 4.5 ttmm -60.57 -40.83 93.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.461 -0.774 . . . . 0.0 110.174 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.89 -52.3 63.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.422 -0.799 . . . . 0.0 110.042 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.64 84.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.344 -0.847 . . . . 0.0 110.159 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.762 ' CE1' HG23 ' A' ' 27' ' ' ILE . 6.1 t80 -67.59 -46.2 73.29 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.364 -0.835 . . . . 0.0 110.116 179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -29.77 70.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.336 -0.853 . . . . 0.0 110.138 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.38 -37.13 84.56 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.441 -0.787 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -103.69 26.04 9.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.308 -0.87 . . . . 0.0 110.21 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.82 138.69 44.46 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.395 -0.816 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' C ' ' CD ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -152.58 42.45 0.64 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 110.813 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.78 -76.38 0.61 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.324 -0.86 . . . . 0.0 110.186 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -168.75 -74.81 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.269 -0.894 . . . . 0.0 110.198 179.935 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.21 -61.95 2.11 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.391 -0.818 . . . . 0.0 110.218 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.64 82.15 0.05 OUTLIER Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 p -138.18 134.69 34.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -1.093 . . . . 0.0 110.294 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.762 HG23 ' CE1' ' A' ' 16' ' ' PHE . 42.6 pt -120.15 159.88 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.424 -0.797 . . . . 0.0 110.177 179.891 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -82.64 155.79 24.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.331 -0.856 . . . . 0.0 110.171 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.02 -28.39 69.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.386 -0.821 . . . . 0.0 110.156 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.7 m -60.7 -34.42 74.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.326 -0.859 . . . . 0.0 110.157 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.75 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.0 mt-10 -91.45 -11.28 38.05 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.437 -0.79 . . . . 0.0 110.46 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' CD1' ' A' ' 63' ' ' ILE . 56.6 tp -57.1 -48.86 77.59 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.156 -0.965 . . . . 0.0 110.367 -179.86 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.68 88.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.311 -0.868 . . . . 0.0 110.118 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.8 m -66.51 -40.65 89.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.934 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 31' ' ' GLU . 97.1 t -57.53 -40.02 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.294 -0.879 . . . . 0.0 109.712 179.606 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.2 mtt -71.09 -29.51 65.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.43 -0.794 . . . . 0.0 109.509 179.383 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -37.61 87.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.468 -0.77 . . . . 0.0 109.766 179.646 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -33.06 39.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.406 -0.809 . . . . 0.0 110.175 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.6 -23.39 67.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.343 -0.848 . . . . 0.0 110.306 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.37 31.14 1.73 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -122.4 177.24 5.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.317 -1.107 . . . . 0.0 110.075 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.1 p -167.92 66.28 0.75 Allowed Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.36 137.84 26.36 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.761 1.4 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -61.72 175.71 0.61 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.363 -0.836 . . . . 0.0 110.186 179.962 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -33.65 74.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.422 -0.799 . . . . 0.0 110.168 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.6 95.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.316 -0.865 . . . . 0.0 110.091 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.33 -39.66 92.7 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.41 -0.806 . . . . 0.0 110.035 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 44' ' ' SER . 62.6 t -66.18 -40.78 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.497 -0.752 . . . . 0.0 109.975 179.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -36.78 84.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 110.027 179.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -63.45 -48.08 79.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.347 -0.846 . . . . 0.0 110.088 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.467 HD21 ' CD ' ' A' ' 75' ' ' GLN . 23.4 mt -63.05 -39.37 94.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.374 -0.829 . . . . 0.0 110.08 179.836 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.6 mtt -68.05 -29.58 68.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.349 -0.844 . . . . 0.0 110.076 179.845 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -68.12 -43.4 78.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.38 -0.825 . . . . 0.0 110.048 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.28 -28.06 64.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.84 . . . . 0.0 110.058 179.875 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.587 HD13 HD11 ' A' ' 63' ' ' ILE . 2.6 mt -88.14 -53.28 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.366 -0.834 . . . . 0.0 110.039 179.908 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -52.79 110.32 0.51 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.176 -0.952 . . . . 0.0 110.663 -179.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.015 HG22 ' HB2' ' A' ' 61' ' ' HIS . 9.3 m -113.88 -33.29 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.446 -0.784 . . . . 0.0 110.175 179.731 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.1 15.98 3.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.381 -0.825 . . . . 0.0 109.969 179.718 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.5 11.17 59.77 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -171.32 41.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.005 -1.291 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 1.015 ' HB2' HG22 ' A' ' 57' ' ' VAL . 3.8 t-160 -71.23 115.98 11.01 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.07 -1.019 . . . . 0.0 109.624 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -79.41 125.28 29.33 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.292 -0.88 . . . . 0.0 109.807 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.587 HD11 HD13 ' A' ' 55' ' ' ILE . 79.4 mt -79.96 125.72 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 0.0 110.394 -179.663 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 160.21 16.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.48 -0.762 . . . . 0.0 109.969 179.788 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 69' ' ' LEU . 21.1 t80 -56.27 -36.24 68.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.311 -0.868 . . . . 0.0 110.34 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -54.92 25.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.891 . . . . 0.0 110.066 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.87 -35.16 79.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.412 -0.805 . . . . 0.0 110.095 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.13 -48.2 81.19 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.396 -0.815 . . . . 0.0 110.093 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 65' ' ' PHE . 48.1 mt -58.89 -39.92 82.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.305 -0.872 . . . . 0.0 110.151 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.96 -48.88 69.84 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.267 -0.896 . . . . 0.0 110.052 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.2 -37.21 86.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.319 -0.863 . . . . 0.0 109.918 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.76 ' O ' HD12 ' A' ' 76' ' ' LEU . 85.8 mmm -64.93 -42.96 94.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.422 -0.799 . . . . 0.0 110.047 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.8 t -59.41 -41.31 89.19 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.302 -0.874 . . . . 0.0 110.267 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -61.53 -40.43 94.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.801 . . . . 0.0 110.156 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.467 ' CD ' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -83.39 -26.42 30.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.387 -0.82 . . . . 0.0 110.335 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 72' ' ' MET . 0.5 OUTLIER -79.23 -7.26 58.11 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.248 -0.908 . . . . 0.0 110.744 -179.824 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -59.12 -85.27 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.128 -0.983 . . . . 0.0 110.173 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 t 49.93 26.61 2.05 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.202 -0.936 . . . . 0.0 110.666 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -117.14 -173.4 2.4 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.306 -0.871 . . . . 0.0 110.349 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.7 136.36 53.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.457 -0.777 . . . . 0.0 110.203 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.8 p -63.04 -19.98 64.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.38 -0.825 . . . . 0.0 110.388 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -57.62 -57.64 11.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.226 -0.921 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.11 -35.68 73.85 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.358 -0.839 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.56 -37.45 86.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.389 -0.82 . . . . 0.0 110.13 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.57 HD22 ' HE2' ' A' ' 89' ' ' PHE . 3.2 mt -65.99 -46.65 77.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.347 -0.846 . . . . 0.0 110.149 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.37 -30.6 70.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.363 -0.836 . . . . 0.0 110.149 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -71.42 -49.81 38.12 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.463 -0.773 . . . . 0.0 109.912 179.901 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.86 97.26 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.363 -0.836 . . . . 0.0 110.106 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HE2' HD22 ' A' ' 85' ' ' LEU . 7.1 m-85 -61.26 -43.1 99.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.314 -0.866 . . . . 0.0 110.091 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -61.47 -37.45 83.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.374 -0.829 . . . . 0.0 110.124 179.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 87' ' ' GLU . 65.7 t -63.86 -37.37 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.367 -0.833 . . . . 0.0 110.051 179.819 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -73.72 -32.4 63.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.464 -0.773 . . . . 0.0 110.223 179.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -90.6 100.44 13.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.417 -0.802 . . . . 0.0 110.261 -179.939 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -60.53 -59.18 5.8 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 110.042 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -146.51 42.59 1.17 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.344 -0.848 . . . . 0.0 110.197 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.55 31.11 7.82 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 p30 36.86 34.84 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.731 -0.864 . . . . 0.0 111.377 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.59 40.63 5.94 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.487 HD21 ' ND2' ' A' ' 136' ' ' ASN . 96.0 mt -137.07 114.12 10.64 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.293 -1.122 . . . . 0.0 110.268 179.892 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.53 HD11 HD12 ' A' ' 105' ' ' LEU . 42.8 pt -124.7 160.28 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.417 -0.802 . . . . 0.0 110.153 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.7 t -79.63 160.05 26.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 0.0 110.199 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.8 -32.69 65.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.35 -0.844 . . . . 0.0 110.383 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.2 -54.28 40.06 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.31 -0.869 . . . . 0.0 110.107 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.788 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 mm-40 -61.6 -36.71 81.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.369 -0.832 . . . . 0.0 110.094 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.807 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -65.02 -39.43 93.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.097 179.85 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -66.07 -42.86 88.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.388 -0.82 . . . . 0.0 110.131 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -63.95 -29.29 70.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.203 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 104' ' ' GLU . 70.0 t -74.22 -45.65 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.424 -0.798 . . . . 0.0 110.014 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -31.44 70.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.271 -0.893 . . . . 0.0 110.215 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.4 m -80.08 -33.82 38.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.362 -0.837 . . . . 0.0 110.144 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.1 t -71.22 -40.06 71.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.349 -0.845 . . . . 0.0 110.207 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.15 -26.28 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.443 -0.785 . . . . 0.0 110.082 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.88 28.6 41.44 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.95 -179.11 0.67 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.404 -1.056 . . . . 0.0 110.081 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -107.04 40.98 1.55 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.364 -0.835 . . . . 0.0 110.197 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 116' ' ' LEU . 77.3 mt -119.04 104.79 10.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.374 -0.829 . . . . 0.0 110.162 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.4 p -67.21 179.15 1.26 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.39 -0.819 . . . . 0.0 110.184 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.01 -36.55 83.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.4 -0.812 . . . . 0.0 110.214 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.51 96.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.399 -0.813 . . . . 0.0 110.136 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.48 -50.54 72.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.322 -0.862 . . . . 0.0 110.143 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.492 HG12 ' CD1' ' A' ' 125' ' ' LEU . 99.0 t -61.54 -29.45 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.335 -0.853 . . . . 0.0 110.011 179.81 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -43.08 95.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.361 -0.837 . . . . 0.0 109.918 179.765 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.67 -34.17 76.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.377 -0.827 . . . . 0.0 109.974 179.817 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.699 ' CG ' HD13 ' A' ' 143' ' ' LEU . 3.2 ttm -79.64 -31.33 41.52 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 110.043 179.813 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.492 ' CD1' HG12 ' A' ' 121' ' ' VAL . 6.0 mt -64.27 -42.6 96.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.475 -0.766 . . . . 0.0 110.206 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -62.97 -37.61 87.78 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.409 -0.807 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -80.11 -28.21 39.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.362 -0.837 . . . . 0.0 110.223 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 124' ' ' MET . 71.6 t -92.22 -64.84 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.374 -0.829 . . . . 0.0 110.098 -179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.8 t -65.07 -43.16 93.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.36 -0.838 . . . . 0.0 110.229 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.6 t0 52.85 36.78 22.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.341 -0.849 . . . . 0.0 110.411 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.2 96.72 0.03 OUTLIER Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -166.46 -56.3 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.432 -1.04 . . . . 0.0 110.241 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 130.43 -72.88 0.47 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -81.45 135.39 35.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.294 -1.121 . . . . 0.0 110.072 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.459 HG23 HG12 ' A' ' 128' ' ' VAL . 55.5 mt -123.51 145.4 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.345 -0.847 . . . . 0.0 110.244 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.487 ' ND2' HD21 ' A' ' 99' ' ' LEU . 4.0 m120 -85.93 121.51 28.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.409 -0.807 . . . . 0.0 110.194 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 22.1 pt -61.24 -21.19 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.386 -0.821 . . . . 0.0 110.488 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -59.48 -48.22 82.5 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.228 -0.92 . . . . 0.0 110.271 -179.902 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.6 -44.18 78.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.388 -0.82 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.807 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.85 -48.19 81.65 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.356 -0.84 . . . . 0.0 110.08 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.02 -28.67 69.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.317 -0.864 . . . . 0.0 110.214 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.17 -36.16 58.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 110.127 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.699 HD13 ' CG ' ' A' ' 124' ' ' MET . 7.5 mt -68.72 -29.97 68.51 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.319 -0.863 . . . . 0.0 110.103 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 88.4 mt -79.76 -29.55 40.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.406 -0.809 . . . . 0.0 110.165 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.1 m -82.42 138.01 34.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.365 -0.834 . . . . 0.0 110.188 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.383 -179.987 . . . . . . . . 0 0 . 1 stop_ save_